SCHEMBL8634010

SCHEMBL8634010

Cc1cc(NC(=O)c2ccccc2Cl)ccc1C(=O)N1c2ccc(Cl)cc2CCCC1CCn1cncn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 14/20 0.44
AVPR1A P37288 4/20 0.44
ABCB11 O95342 1/20 0.44
ADRB2 P07550 1/20 0.44
HTR1A P08908 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
HTR2C P28335 1/20 0.44
HRH1 P35367 1/20 0.44
OPRM1 P35372 1/20 0.44
GLP1R P43220 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
HSD11B1 P28845 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL8627356 0.89 AVPR2 (0.44) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL8652479 0.88 AVPR2 (0.44) AVPR2AVPR1AABCB11ADRB2HTR1A
Hydrochloric Acid SCHEMBL8634036 0.86 AVPR2 (0.51) AVPR2AVPR1AABCB11ADRB2HTR1A
Hydrochloric Acid SCHEMBL8661678 0.86 AVPR2 (0.52) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL8630705 0.84 AVPR2 (0.43) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL8632575 0.83 AVPR2 (0.46) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL8628615 0.81 GRM4 (0.40) AVPR2AVPR1ALMNATP53
SCHEMBL4687535 0.81 AVPR2 (0.60) AVPR2AVPR1AABCB11ADRB2HTR1A
Hydrochloric Acid SCHEMBL8632581 0.81 AVPR2 (0.44) AVPR2AVPR1AABCB11ADRB2HTR1A
Hydrochloric Acid SCHEMBL8632121 0.78 AVPR2 (0.53) AVPR2AVPR1AABCB11ADRB2HTR1A

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