SCHEMBL7377178

SCHEMBL7377178

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccccc3OCC(=O)N3CCN(C)CC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
AVPR2 P30518 6/20 0.43
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL7371914 0.94 POLB (0.45) RECQLMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7370995 0.92 AVPR2 (0.48) MEN1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL7372097 0.91 AVPR2 (0.46) AVPR2GAA
SCHEMBL7372942 0.91 AVPR2 (0.46) AVPR2GAA
SCHEMBL7751053 0.91 AVPR2 (0.46) AVPR2GAA
SCHEMBL7371254 0.91 AVPR2 (0.41) RECQLAVPR2GAA
SCHEMBL7373823 0.90 AVPR2 (0.39) RECQLMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7373825 0.90 AVPR2 (0.39) RECQLMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7373171 0.90 AVPR2 (0.49) RECQLMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7371835 0.89 AVPR1A (0.47) MEN1KMT2ASMN1; SMN2AVPR2GAA

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