SCHEMBL7353295

SCHEMBL7353295

CNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)c(OC)c2)c2ccc(F)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 12/20 0.49
AVPR2 P30518 11/20 0.49
AVPR1B P47901 3/20 0.48
ABCB11 O95342 2/20 0.47
HTR1A P08908 2/20 0.47
CHRM1 P11229 2/20 0.47
OPRM1 P35372 2/20 0.47
OXTR P30559 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ADRB2 P07550 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
TBXA2R P21731 1/20 0.45
HTR2C P28335 1/20 0.45
HRH1 P35367 1/20 0.45
GLP1R P43220 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
GPR119 Q8TDV5 1/20 0.45

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
SCHEMBL7354260 0.92 AVPR1A (0.51) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL7348592 0.91 ALDH1A1 (0.56) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL7351581 0.91 AVPR2 (0.57) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL7356805 0.90 AVPR1A (0.50) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL7353413 0.88 AVPR1A (0.61) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL8630756 0.84 AVPR1A (0.46) AVPR1AAVPR2AVPR1BABCB11HTR1A
Hydrochloric Acid SCHEMBL7354302 0.84 AVPR1A (0.47) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL7353539 0.83 SPTLC2 (0.59) AVPR1AAVPR2AVPR1BABCB11HTR1A
SCHEMBL7356074 0.83 AVPR2 (0.55) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL7349131 0.81 ALDH1A1 (0.56) AVPR1AAVPR2AVPR1BABCB11HTR1A

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