SCHEMBL7375946

SCHEMBL7375946

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccccc3OCCCCOC(=O)N3CCN(C)CC3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 1/20 0.42
AVPR2 P30518 9/20 0.41
LMNA P02545 1/20 0.40
AVPR1A P37288 2/20 0.39
AVPR1B P47901 2/20 0.39
MAPT P10636 2/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7371629 0.98 NPSR1 (0.42) NPSR1GAAAVPR2LMNAAVPR1A
SCHEMBL7372097 0.91 AVPR2 (0.46) GAAAVPR2AVPR1AAVPR1B
SCHEMBL7751053 0.90 AVPR2 (0.46) GAAAVPR2AVPR1AAVPR1B
SCHEMBL7372942 0.90 AVPR2 (0.46) GAAAVPR2AVPR1AAVPR1B
SCHEMBL7370995 0.90 AVPR2 (0.48) GAAAVPR2AVPR1AAVPR1BSMN1; SMN2
SCHEMBL7376990 0.90 KDM4E (0.49) AVPR2AVPR1AAVPR1BALDH1A1
SCHEMBL7367751 0.90 AVPR2 (0.40) AVPR2AVPR1AAVPR1BRECQLALDH1A1
SCHEMBL7374656 0.89 KDM4E (0.49) AVPR2AVPR1AAVPR1BALDH1A1
Hydrochloric Acid SCHEMBL7376857 0.89 KDM4E (0.49) AVPR2AVPR1AAVPR1BALDH1A1
SCHEMBL7374907 0.89 KDM4E (0.49) AVPR2AVPR1AAVPR1BALDH1A1

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