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Sugi Predict / Compounds / SCHEMBL739481

SCHEMBL739481

SCHEMBL739481

COCCCn1c([C@@H]2CCCN(C(=O)[C@@H]3CN(C(=O)c4ccc(OC)cc4)C[C@H]3N)C2)nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.48
▸ KCNH2 Q12809 5/20 0.46
▸ HRH1 P35367 3/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ HSD11B1 P28845 1/20 0.44
▸ MAPT P10636 5/20 0.44
▸ DPP4 P27487 3/20 0.43
▸ DPP8 Q6V1X1 1/20 0.43
▸ TP53 P04637 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PROKR1 Q8TCW9 1/20 0.41
▸ BLM P54132 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL739483 1.00 CNR2 (0.48) CNR2KCNH2HRH1CYP2D6CHRM1
SCHEMBL738834 0.94 HRH1 (0.49) CNR2KCNH2HRH1CYP2D6CHRM1
SCHEMBL738833 0.94 HRH1 (0.49) CNR2KCNH2HRH1CYP2D6CHRM1
SCHEMBL741962 0.93 HRH1 (0.45) CNR2KCNH2HRH1CYP2D6CHRM1
SCHEMBL741961 0.93 HRH1 (0.45) CNR2KCNH2HRH1CYP2D6CHRM1
SCHEMBL740710 0.93 HRH1 (0.45) CNR2KCNH2HRH1CYP2D6CHRM1
SCHEMBL740709 0.93 HRH1 (0.45) CNR2KCNH2HRH1CYP2D6CHRM1
SCHEMBL740174 0.92 KCNH2 (0.47) CNR2KCNH2HRH1CYP2D6CHRM1
SCHEMBL740173 0.92 KCNH2 (0.47) CNR2KCNH2HRH1CYP2D6CHRM1
SCHEMBL740285 0.92 DPP4 (0.55) CNR2KCNH2HRH1CYP2D6CHRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 — — US claimed
EP-2633088-B1 NON METAL TANNING STAHL INT B V (NL) 2018-09-12 — — EP disclosed
EP-2633086-B1 NON-METAL TANNING PROCESS STAHL INT B V (NL) 2017-08-16 — — EP disclosed
EP-2633089-B1 NON METAL TANNING STAHL INT B V (NL) 2017-03-15 — — EP disclosed
EP-2638181-B1 NON METAL TANNING STAHL INT B V (NL) 2017-02-22 — — EP disclosed
EP-2638179-B1 NON METAL TANNING STAHL INT BV (NL) 2014-11-26 — — EP disclosed
EP-2638180-B1 NON METAL TANNING STAHL INT BV (NL) 2014-11-26 — — EP disclosed
EP-2633087-B1 NON-METAL TANNING PROCESS STAHL INT BV (NL) 2014-09-17 — — EP disclosed
US-8808398-B2 Non metal tanning STAHL INTERNATIONAL B.V. (NL) 2014-08-19 — — US disclosed
US-8801804-B2 Non-metal tanning process STAHL INTERNATIONAL B.V. (NL) 2014-08-12 — — US disclosed
WO-2012062413-A1 NON METAL TANNING CLARIANT INTERNATIONAL LTD (CH) 2012-05-18 — — WO disclosed
WO-2012062412-A1 NON METAL TANNING CLARIANT INTERNATIONAL LTD (CH) 2012-05-18 — — WO disclosed
WO-2012055481-A1 NON METAL TANNING CLARIANT INTERNATIONAL LTD (CH) 2012-05-03 — — WO disclosed
WO-2012055482-A1 NON-METAL TANNING PROCESS CLARIANT INTERNATIONAL LTD (CH) 2012-05-03 — — WO disclosed
WO-2012055480-A1 NON METAL TANNING CLARIANT INTERNATIONAL LTD (CH) 2012-05-03 — — WO disclosed
EP-2430197-A1 TANNING PROCESS AND TANNING COMPOSITION Clariant Finance (BVI) Limited (VG) 2012-03-21 — — EP disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 — — US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 — — US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 — — US disclosed
WO-2010130311-A1 TANNING PROCESS AND TANNING COMPOSITION CLARIANT INTERNATIONAL LTD (CH) 2010-11-18 — — WO disclosed