SCHEMBL9038889

SCHEMBL9038889

Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC3(CO3)c3ccccc32)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 14/20 0.54
AVPR2 P30518 12/20 0.54
ABCB11 O95342 1/20 0.51
ADRB2 P07550 1/20 0.51
HTR1A P08908 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
TBXA2R P21731 1/20 0.51
HTR2C P28335 1/20 0.51
HRH1 P35367 1/20 0.51
OPRM1 P35372 1/20 0.51
GLP1R P43220 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
GPR119 Q8TDV5 1/20 0.51
OXTR P30559 1/20 0.48

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
SCHEMBL7354154 0.86 AVPR1A (0.64) AVPR1AAVPR2OXTR
SCHEMBL26405962 0.86 AVPR2 (0.65) AVPR1AAVPR2ABCB11ADRB2HTR1A
SCHEMBL7352186 0.86 AVPR2 (0.55) AVPR1AAVPR2ABCB11ADRB2HTR1A
SCHEMBL26405255 0.81 AVPR2 (0.63) AVPR1AAVPR2ABCB11ADRB2HTR1A
SCHEMBL8719654 0.81 AVPR2 (0.73) AVPR1AAVPR2OXTR
SCHEMBL26405250 0.80 AVPR2 (0.62) AVPR1AAVPR2ABCB11ADRB2HTR1A
SCHEMBL7351642 0.80 AVPR2 (0.57) AVPR1AAVPR2ABCB11ADRB2HTR1A
SCHEMBL8718169 0.79 AVPR2 (0.54) AVPR1AAVPR2ABCB11ADRB2HTR1A
SCHEMBL7343456 0.78 AVPR2 (0.75) AVPR1AAVPR2ABCB11ADRB2HTR1A
SCHEMBL7346748 0.78 AVPR2 (0.56) AVPR1AAVPR2ABCB11ADRB2HTR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4253367-A1 NOVEL BENZAZEPINE SPIRO DERIVATIVE Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2023-10-04 EP disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed