SCHEMBL8715447

SCHEMBL8715447

CNC1CC(OC)CN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c2ccc(Cl)cc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 10/20 0.53
AVPR2 P30518 9/20 0.53
SPTLC2 O15270 1/20 0.46
AVPR1B P47901 1/20 0.43
CYP2C9 P11712 1/20 0.43
ABCB11 O95342 1/20 0.43
ADRB2 P07550 1/20 0.43
HTR1A P08908 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
TBXA2R P21731 1/20 0.43
HTR2C P28335 1/20 0.43
HRH1 P35367 1/20 0.43
OPRM1 P35372 1/20 0.43
GLP1R P43220 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
GPR119 Q8TDV5 1/20 0.43

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
SCHEMBL8712407 0.93 AVPR2 (0.52) AVPR1AAVPR2AVPR1BABCB11ADRB2
SCHEMBL8713758 0.91 AVPR1A (0.53) AVPR1AAVPR2SPTLC2AVPR1BCYP2C9
SCHEMBL7345506 0.83 AVPR2 (0.58) AVPR1AAVPR2AVPR1BABCB11ADRB2
Hydrochloric Acid SCHEMBL8630729 0.81 AVPR2 (0.48) AVPR1AAVPR2AVPR1BCYP2C9ABCB11
SCHEMBL8715453 0.81 AVPR1A (0.56) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL8713718 0.80 AVPR2 (0.51) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL8631280 0.78 AVPR2 (0.49) AVPR1AAVPR2AVPR1BABCB11ADRB2
SCHEMBL8627097 0.77 SPTLC2 (0.51) AVPR1AAVPR2SPTLC2AVPR1BABCB11
SCHEMBL8628740 0.77 AVPR2 (0.48) AVPR1AAVPR2AVPR1BABCB11ADRB2
SCHEMBL8630292 0.77 AVPR2 (0.43) AVPR1AAVPR2AVPR1BCYP2C9ABCB11

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-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed