SCHEMBL763197

SCHEMBL763197

CCCCn1c([C@@H]2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccccc4)cc3)C2)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.47
CYP2D6 P10635 7/20 0.47
KCNH2 Q12809 10/20 0.45
CHRM1 P11229 3/20 0.45
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
HTR2B P41595 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PROKR1 Q8TCW9 1/20 0.42

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
SCHEMBL738739 0.91 HRH1 (0.46) HRH1CYP2D6KCNH2CHRM1USP2
SCHEMBL738740 0.91 HRH1 (0.46) HRH1CYP2D6KCNH2CHRM1USP2
SCHEMBL762670 0.91 HRH1 (0.45) HRH1CYP2D6KCNH2CHRM1USP2
SCHEMBL762782 0.91 HRH1 (0.47) HRH1CYP2D6KCNH2CHRM1USP2
SCHEMBL740852 0.89 USP2 (0.49) HRH1CYP2D6KCNH2CHRM1USP2
SCHEMBL740851 0.89 USP2 (0.49) HRH1CYP2D6KCNH2CHRM1USP2
SCHEMBL763496 0.89 HRH1 (0.41) HRH1CYP2D6KCNH2CHRM1POLB
SCHEMBL762969 0.88 HRH1 (0.46) HRH1CYP2D6KCNH2CHRM1USP2
SCHEMBL762802 0.88 HRH1 (0.43) HRH1CYP2D6KCNH2CHRM1USP2
SCHEMBL763356 0.87 HRH1 (0.45) HRH1CYP2D6KCNH2CHRM1USP2

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