SCHEMBL7375706

SCHEMBL7375706

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccccc3OCCCN3C(=O)c4ccccc4C3=O)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MTTP P55157 8/20 0.40
F10 P00742 3/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.39
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL7372417 0.90 ALDH1A1 (0.47) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL7368867 0.89 KDM4E (0.43) KMT2AMEN1KDM4ERXFP1MTTP
SCHEMBL7374862 0.87 ALDH1A1 (0.46) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL7374130 0.86 ALDH1A1 (0.45) HTTKMT2AMEN1KDM4EALDH1A1
SCHEMBL7372810 0.86 ALDH1A1 (0.44) HTTKMT2AMEN1KDM4EMTTP
SCHEMBL7376228 0.85 ALDH1A1 (0.51) HTTKMT2AMEN1KDM4EMTTP
SCHEMBL7374746 0.85 KMT2A (0.47) HTTKMT2AMEN1KDM4ERXFP1
SCHEMBL7748371 0.84 F10 (0.38) KDM4ERXFP1MTTPF10ALDH1A1
SCHEMBL7373196 0.83 MTTP (0.40) KMT2AMEN1KDM4ERXFP1MTTP
SCHEMBL7375888 0.82 POLB (0.44) HTTKDM4EMTTPALDH1A1POLB

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 4 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
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed