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SCHEMBL763252

SCHEMBL763252

COCCCn1c([C@@H]2CCCN(C(=O)C[C@H](C)Cc3ccc(-c4ccc(C(=O)O)nc4)cc3)C2)nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 11/20 0.44
▸ KCNH2 Q12809 10/20 0.44
▸ CYP2D6 P10635 6/20 0.44
▸ CHRM1 P11229 3/20 0.43
▸ BTK Q06187 1/20 0.39
▸ PROKR1 Q8TCW9 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL763542 0.94 KCNH2 (0.42) HRH1KCNH2CYP2D6CHRM1BTK
SCHEMBL763313 0.92 KCNH2 (0.41) HRH1KCNH2CYP2D6CHRM1BTK
SCHEMBL763506 0.92 KCNH2 (0.44) HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL763307 0.91 KCNH2 (0.41) HRH1KCNH2CYP2D6CHRM1BTK
SCHEMBL762716 0.90 KCNH2 (0.43) HRH1KCNH2CYP2D6CHRM1BTK
SCHEMBL762597 0.90 KCNH2 (0.45) HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL762888 0.89 KCNH2 (0.45) HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL762604 0.89 KCNH2 (0.43) HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL762638 0.89 KCNH2 (0.44) HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL740914 0.88 HRH1 (0.40) HRH1KCNH2CYP2D6CHRM1BTK

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