SCHEMBL7346397

SCHEMBL7346397

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=S)c1ccccc1CCCO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.39
AVPR1A P37288 5/20 0.39
AVPR1B P47901 4/20 0.39
LPAR1 Q92633 2/20 0.34
LPAR2 Q9HBW0 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.34
ADRA1D P25100 1/20 0.33

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
SCHEMBL7344838 0.95 AVPR2 (0.38) AVPR2AVPR1AAVPR1BLPAR1LPAR2
Hydrochloric Acid SCHEMBL7342102 0.95 AVPR2 (0.38) AVPR2AVPR1AAVPR1BLPAR1LPAR2
SCHEMBL7346320 0.93 AVPR2 (0.38) AVPR2AVPR1AAVPR1BLPAR1LPAR2
SCHEMBL7343312 0.92 AVPR2 (0.39) AVPR2AVPR1AAVPR1BKMT2AMEN1
SCHEMBL7344421 0.91 AVPR2 (0.36) AVPR2AVPR1AAVPR1BLPAR1LPAR2
SCHEMBL7338514 0.88 AVPR2 (0.42) AVPR2AVPR1AAVPR1BLPAR1LPAR2
Hydrochloric Acid SCHEMBL7778254 0.88 AVPR2 (0.41) AVPR2AVPR1AAVPR1BLPAR1LPAR2
SCHEMBL7339127 0.87 AVPR2 (0.44) AVPR2AVPR1AAVPR1BLPAR1LPAR2
Hydrochloric Acid SCHEMBL7342655 0.86 AVPR2 (0.43) AVPR2AVPR1AAVPR1BLPAR1LPAR2
SCHEMBL7338041 0.86 AVPR2 (0.42) AVPR2AVPR1AAVPR1BKMT2AMEN1

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-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed