Sugi Predict

Sugi Predict / Compounds / SCHEMBL741567

SCHEMBL741567

SCHEMBL741567

COCCCn1c([C@@H]2CCCN(C(=O)C[C@@H](Cc3ccc(N4CCC(CCO)CC4)cc3)N(C(=O)O)C(C)(C)C)C2)nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 12/20 0.40
▸ KCNH2 Q12809 10/20 0.40
▸ CYP2D6 P10635 8/20 0.40
▸ CHRM1 P11229 3/20 0.40
▸ CYP3A4 P08684 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL739846 0.96 HRH1 (0.41) HRH1KCNH2CYP2D6CHRM1CYP3A4
SCHEMBL739460 0.93 HRH1 (0.41) HRH1KCNH2CYP2D6CHRM1CYP3A4
SCHEMBL742257 0.91 HRH1 (0.41) HRH1KCNH2CYP2D6CHRM1CYP3A4
SCHEMBL739313 0.88 HRH1 (0.44) HRH1KCNH2CYP2D6CHRM1CYP3A4
SCHEMBL740379 0.88 HRH1 (0.44) HRH1KCNH2CYP2D6CHRM1CYP3A4
SCHEMBL740395 0.88 HRH1 (0.42) HRH1KCNH2CYP2D6CHRM1CYP3A4
SCHEMBL740394 0.88 HRH1 (0.42) HRH1KCNH2CYP2D6CHRM1CYP3A4
SCHEMBL740915 0.88 MAPT (0.39) HRH1KCNH2CYP2D6CHRM1TP53
SCHEMBL740916 0.88 MAPT (0.39) HRH1KCNH2CYP2D6CHRM1TP53
SCHEMBL743284 0.88 HRH1 (0.41) HRH1KCNH2CYP2D6CHRM1CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 — — US disclosed