SCHEMBL8630871

SCHEMBL8630871

COC1CCC(CC(=O)N2CCN(C)CC2)c2cc(Cl)ccc2N1C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.44
AVPR1A P37288 5/20 0.44
WDR5 P61964 1/20 0.43
HSD11B1 P28845 3/20 0.41
RAB9A P51151 1/20 0.40
ABCB11 O95342 1/20 0.39
ADRB2 P07550 1/20 0.39
HTR1A P08908 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
OPRM1 P35372 1/20 0.39
GLP1R P43220 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
GPR119 Q8TDV5 1/20 0.39

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
Hydrochloric Acid SCHEMBL8634086 0.99 AVPR2 (0.43) AVPR2AVPR1AWDR5HSD11B1RAB9A
SCHEMBL8627338 0.94 AVPR2 (0.47) AVPR2AVPR1AABCB11ADRB2HTR1A
SCHEMBL8629370 0.93 CHRM1 (0.48) AVPR2AVPR1AHSD11B1RAB9AABCB11
SCHEMBL8632093 0.90 AVPR2 (0.40) AVPR2AVPR1AHSD11B1ABCB11ADRB2
SCHEMBL8628769 0.90 AVPR2 (0.40) AVPR2AVPR1AHSD11B1ABCB11ADRB2
SCHEMBL8630617 0.89 CHRM1 (0.40) AVPR2AVPR1AHSD11B1ABCB11ADRB2
SCHEMBL8627201 0.89 AVPR1A (0.46) AVPR2AVPR1AHSD11B1ABCB11ADRB2
SCHEMBL8628513 0.87 AVPR1A (0.44) AVPR2AVPR1AHSD11B1ABCB11ADRB2
SCHEMBL8632671 0.86 AVPR2 (0.44) AVPR2AVPR1AHSD11B1ABCB11ADRB2
Hydrochloric Acid SCHEMBL8634479 0.85 AVPR2 (0.46) 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
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US claimed