SCHEMBL7353531

SCHEMBL7353531

C=CCN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccc(Cl)cc21

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.64
AVPR2 P30518 7/20 0.64
ABCB11 O95342 2/20 0.64
HTR1A P08908 2/20 0.64
CHRM1 P11229 2/20 0.64
OPRM1 P35372 2/20 0.64
AVPR1B P47901 2/20 0.64
OXTR P30559 1/20 0.64
SLC6A4 P31645 1/20 0.64
ADRA1A P35348 1/20 0.64
ADRB2 P07550 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
TBXA2R P21731 1/20 0.60
HTR2C P28335 1/20 0.60
HRH1 P35367 1/20 0.60
GLP1R P43220 1/20 0.60
TMEM97 Q5BJF2 1/20 0.60
FFAR4 Q5NUL3 1/20 0.60
GPR119 Q8TDV5 1/20 0.60

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
SCHEMBL7348782 0.89 AVPR1A (0.80) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL4684530 0.85 AVPR2 (0.62) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL4686778 0.84 AVPR2 (0.68) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL7348919 0.84 AVPR2 (0.60) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL7354520 0.84 AVPR2 (0.63) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL4681035 0.84 AVPR2 (0.63) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL5485609 0.83 AVPR2 (0.85) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL7355245 0.83 AVPR1A (0.70) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL4684432 0.82 AVPR2 (0.65) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL7350221 0.82 SPTLC2 (0.51) AVPR1AAVPR2ABCB11HTR1ACHRM1

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