SCHEMBL6970595

SCHEMBL6970595

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCCC(CC(=O)N4CCN(C)CC4)c4cc(Cl)ccc43)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 0.54
AVPR1A P37288 9/20 0.54
CYP2C9 P11712 1/20 0.53
ABCB11 O95342 1/20 0.49
ADRB2 P07550 1/20 0.49
HTR1A P08908 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 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
AVPR1B P47901 2/20 0.47
OXTR P30559 1/20 0.46

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
SCHEMBL6965024 0.91 AVPR2 (0.57) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL8961742 0.90 AVPR2 (0.56) AVPR2AVPR1ACYP2C9ABCB11ADRB2
Hydrochloric Acid SCHEMBL4687939 0.89 AVPR2 (0.60) AVPR2AVPR1AABCB11ADRB2HTR1A
Hydrochloric Acid SCHEMBL4681785 0.89 AVPR2 (0.51) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL6965154 0.87 AVPR2 (0.56) AVPR2AVPR1ACYP2C9ABCB11ADRB2
SCHEMBL4684075 0.87 AVPR2 (0.48) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL4681027 0.83 AVPR2 (0.71) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL6969099 0.82 AVPR2 (0.59) AVPR2AVPR1AABCB11HTR1ACHRM1
Hydrochloric Acid SCHEMBL7348547 0.82 AVPR2 (0.60) AVPR2AVPR1AABCB11ADRB2HTR1A
Hydrochloric Acid SCHEMBL4681374 0.81 AVPR2 (0.62) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed