SCHEMBL8630642

SCHEMBL8630642

COc1cc(NC(=O)c2ccccc2C)ccc1C(=O)N1CC(OCCCOS(=O)(=O)c2ccc(C)cc2)CCc2cc(Cl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 0.43
AVPR1A P37288 6/20 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
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GPR27 Q9NS67 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
SCHEMBL8634051 0.85 AVPR2 (0.42) AVPR2POLB
SCHEMBL4686375 0.85 AVPR2 (0.56) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL8634460 0.83 MAPT (0.36) POLBALDH1A1
SCHEMBL8629473 0.80 AVPR2 (0.51) AVPR2AVPR1A
SCHEMBL8627674 0.78 AVPR2 (0.38) AVPR2CYP2C9ALDH1A1
SCHEMBL8631906 0.76 RORC (0.44) AVPR2AVPR1APOLBALDH1A1
SCHEMBL8632674 0.75 AVPR2 (0.51) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL4685278 0.74 AVPR2 (0.47) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL7350725 0.73 AVPR2 (0.55) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL8634049 0.73 AVPR2 (0.42) AVPR2

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-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed