SCHEMBL7355889

SCHEMBL7355889

NC(=O)CNC(=O)COC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c2ccc(Cl)cc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 8/20 0.48
AVPR2 P30518 7/20 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
AVPR1B P47901 1/20 0.47
HSD11B1 P28845 1/20 0.46

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
SCHEMBL7355893 0.86 AVPR1A (0.49) AVPR1AAVPR2ABCB11ADRB2HTR1A
SCHEMBL4686385 0.85 AVPR1A (0.53) AVPR1AAVPR2ABCB11ADRB2HTR1A
SCHEMBL7347809 0.85 AVPR1A (0.55) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL7355779 0.84 AVPR2 (0.64) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL7358815 0.83 AVPR2 (0.66) AVPR1AAVPR2ABCB11ADRB2HTR1A
SCHEMBL7349171 0.82 AVPR1A (0.56) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL7348927 0.82 AVPR2 (0.51) AVPR1AAVPR2ABCB11ADRB2HTR1A
SCHEMBL7348132 0.81 AVPR1A (0.56) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL4687738 0.81 AVPR2 (0.54) AVPR1AAVPR2ABCB11ADRB2HTR1A
SCHEMBL7347190 0.80 AVPR2 (0.54) AVPR1AAVPR2HSD11B1

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