SCHEMBL7370995

SCHEMBL7370995

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccccc3OCCCC(=O)N3CCN(C)CC3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 10/20 0.48
AVPR1A P37288 5/20 0.48
AVPR1B P47901 4/20 0.48
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL7372097 0.98 AVPR2 (0.46) AVPR2AVPR1AAVPR1BGAA
SCHEMBL7751053 0.97 AVPR2 (0.46) AVPR2AVPR1AAVPR1BGAA
SCHEMBL7372942 0.97 AVPR2 (0.46) AVPR2AVPR1AAVPR1BGAA
SCHEMBL7377178 0.92 RECQL (0.45) AVPR2MEN1GAAKMT2ACYP1A2
SCHEMBL7376322 0.92 AVPR2 (0.51) AVPR2AVPR1AAVPR1B
SCHEMBL7371692 0.91 AVPR2 (0.46) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7749486 0.91 AVPR2 (0.46) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7371254 0.91 AVPR2 (0.41) AVPR2AVPR1AAVPR1BGAA
SCHEMBL7371629 0.90 NPSR1 (0.42) AVPR2AVPR1AAVPR1BMEN1GAA
SCHEMBL7375946 0.90 NPSR1 (0.42) AVPR2AVPR1AAVPR1BMEN1GAA

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
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed