SCHEMBL7354150

SCHEMBL7354150

COc1ccc2c(c1)C(O)(CO)CCCN2C(=O)c1ccc(NC(=O)c2ccccc2C)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.48
AVPR1A P37288 9/20 0.48
ABCB11 O95342 1/20 0.48
ADRB2 P07550 1/20 0.48
HTR1A P08908 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48
TBXA2R P21731 1/20 0.48
HTR2C P28335 1/20 0.48
HRH1 P35367 1/20 0.48
OPRM1 P35372 1/20 0.48
GLP1R P43220 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
GPR119 Q8TDV5 1/20 0.48
TP53 P04637 2/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 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
SCHEMBL7352186 0.90 AVPR2 (0.55) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL8718169 0.89 AVPR2 (0.54) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL4682239 0.82 LMNA (0.48) AVPR2AVPR1ACHRM1TP53LMNA
SCHEMBL7388835 0.79 AVPR2 (0.50) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL7352847 0.78 AVPR2 (0.59) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL9038889 0.78 AVPR1A (0.54) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL7351428 0.78 AVPR2 (0.54) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL7357342 0.78 AVPR2 (0.61) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL7351815 0.78 AVPR2 (0.56) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL7351794 0.77 AVPR1A (0.62) AVPR2AVPR1A

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
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed