SCHEMBL7348458

SCHEMBL7348458

COc1cc(C(=O)N2CCCC(OCCNC(C)C)c3cc(Cl)ccc32)ccc1NC(=O)c1ccccc1C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 15/20 0.51
AVPR1A P37288 7/20 0.51
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
ALDH1A1 P00352 1/20 0.46
AVPR1B P47901 2/20 0.44

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
SCHEMBL7353530 0.94 SPTLC2 (0.51) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL7348086 0.89 AVPR2 (0.52) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL7348533 0.89 AVPR2 (0.60) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL7352456 0.88 AVPR2 (0.56) AVPR2AVPR1AABCB11ADRB2HTR1A
Hydrochloric Acid SCHEMBL7355248 0.85 AVPR2 (0.70) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL7351581 0.84 AVPR2 (0.57) AVPR2AVPR1AABCB11ADRB2HTR1A
Hydrochloric Acid SCHEMBL7356500 0.83 AVPR2 (0.51) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL7355275 0.83 AVPR1A (0.61) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL4684981 0.83 AVPR2 (0.52) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL7350492 0.83 SPTLC2 (0.52) AVPR2AVPR1AABCB11ADRB2HTR1A

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