SCHEMBL7349666

SCHEMBL7349666

CCCCN(CC)CCOC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2OC)c2ccc(Cl)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.55
AVPR1A P37288 3/20 0.48
CHRM1 P11229 3/20 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
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
SPTLC2 O15270 1/20 0.41
CHRM5 P08912 2/20 0.41
CHRM3 P20309 2/20 0.41
AVPR1B P47901 1/20 0.41
GRM4 Q14833 1/20 0.40

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
SCHEMBL4686125 0.91 AVPR2 (0.59) AVPR2AVPR1ACHRM1ABCB11ADRB2
SCHEMBL4681673 0.87 AVPR2 (0.54) AVPR2AVPR1ACHRM1ABCB11ADRB2
SCHEMBL7355397 0.86 AVPR2 (0.52) AVPR2AVPR1ACHRM1ABCB11ADRB2
SCHEMBL7354159 0.85 AVPR2 (0.57) AVPR2AVPR1ACHRM1ABCB11ADRB2
SCHEMBL4685362 0.84 AVPR2 (0.51) AVPR2AVPR1ACHRM1ABCB11ADRB2
Hydrochloric Acid SCHEMBL4682208 0.84 AVPR2 (0.51) AVPR2AVPR1ACHRM1ABCB11ADRB2
SCHEMBL4685440 0.84 AVPR2 (0.51) AVPR2AVPR1ACHRM1ABCB11ADRB2
SCHEMBL4687738 0.84 AVPR2 (0.54) AVPR2AVPR1ACHRM1ABCB11ADRB2
SCHEMBL4687912 0.84 AVPR2 (0.51) AVPR2AVPR1ACHRM1ABCB11ADRB2
SCHEMBL4686043 0.84 AVPR2 (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed