SCHEMBL4685751

SCHEMBL4685751

COc1cc(NC(=O)c2ccccc2Cl)ccc1C(=O)N1CCCC(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c2cc(Cl)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 14/20 0.51
AVPR1A P37288 4/20 0.49
CHRM1 P11229 2/20 0.49
ABCB11 O95342 1/20 0.49
ADRB2 P07550 1/20 0.49
HTR1A P08908 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
TBXA2R P21731 1/20 0.49
HTR2C P28335 1/20 0.49
HRH1 P35367 1/20 0.49
OPRM1 P35372 1/20 0.49
GLP1R P43220 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
GPR119 Q8TDV5 1/20 0.49
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL4684933 0.94 AVPR2 (0.51) AVPR2AVPR1ACHRM1ABCB11ADRB2
SCHEMBL4698258 0.92 AVPR2 (0.52) AVPR2AVPR1ACHRM1ABCB11ADRB2
Hydrochloric Acid SCHEMBL7341607 0.92 AVPR2 (0.51) AVPR2AVPR1ACHRM1ABCB11ADRB2
SCHEMBL4685708 0.91 AVPR2 (0.50) AVPR2AVPR1ACHRM1ABCB11ADRB2
SCHEMBL4682372 0.91 AVPR2 (0.50) AVPR2AVPR1ACHRM1ABCB11ADRB2
SCHEMBL4698251 0.90 AVPR2 (0.49) AVPR2AVPR1ACHRM1ABCB11ADRB2
SCHEMBL4684917 0.90 AVPR2 (0.49) AVPR2AVPR1ACHRM1ABCB11ADRB2
SCHEMBL4682792 0.90 AVPR2 (0.49) AVPR2AVPR1ACHRM1ABCB11ADRB2
SCHEMBL4682918 0.90 AVPR2 (0.49) AVPR2AVPR1ACHRM1ABCB11ADRB2
SCHEMBL4698248 0.89 AVPR2 (0.48) AVPR2AVPR1ACHRM1ABCB11ADRB2

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
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed