Sugi Predict

Sugi Predict / Compounds / SCHEMBL737984

SCHEMBL737984

SCHEMBL737984

COCCCn1c([C@@H]2CCCN(C(=O)C[C@@H](Cc3ccc(-c4ccnc(OC)c4)cc3)N(C(=O)O)C(C)(C)C)C2)nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 12/20 0.41
▸ KCNH2 Q12809 9/20 0.41
▸ CYP2D6 P10635 7/20 0.41
▸ PROKR1 Q8TCW9 2/20 0.39
▸ CHRM1 P11229 3/20 0.39
▸ CYP3A4 P08684 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ JAK3 P52333 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
SCHEMBL741879 0.90 HRH1 (0.44) HRH1KCNH2CYP2D6CHRM1CYP3A4
SCHEMBL739476 0.89 HRH1 (0.43) HRH1KCNH2CYP2D6PROKR1CHRM1
SCHEMBL742398 0.89 HRH1 (0.41) HRH1KCNH2CYP2D6PROKR1CHRM1
SCHEMBL742872 0.89 HRH1 (0.41) HRH1KCNH2CYP2D6PROKR1CHRM1
SCHEMBL742873 0.89 HRH1 (0.41) HRH1KCNH2CYP2D6PROKR1CHRM1
SCHEMBL739906 0.89 HRH1 (0.41) HRH1KCNH2CYP2D6CHRM1CYP3A4
SCHEMBL739588 0.89 HRH1 (0.43) HRH1KCNH2CYP2D6PROKR1CHRM1
SCHEMBL741032 0.89 HRH1 (0.41) HRH1KCNH2CYP2D6PROKR1CHRM1
SCHEMBL741907 0.88 HRH1 (0.41) HRH1KCNH2CYP2D6CHRM1CYP3A4
SCHEMBL742749 0.88 HRH1 (0.43) HRH1KCNH2CYP2D6PROKR1CHRM1

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