SCHEMBL7376985

SCHEMBL7376985

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccccn3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
TRPV1 Q8NER1 3/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA4 P43681 2/20 0.46
KMT2A Q03164 3/20 0.46
CYP3A4 P08684 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL7378335 0.84 CHRNB2 (0.52) ALDH1A1RAB9ANPC1CHRNB2CHRNB4
SCHEMBL7371083 0.83 HTT (0.56) ALDH1A1RAB9ANPC1CHRNB2CHRNB4
SCHEMBL7376741 0.81 CHRNB2 (0.49) TRPV1ALDH1A1RAB9ANPC1CHRNB2
SCHEMBL7375535 0.81 L3MBTL1 (0.50) TRPV1ALDH1A1RAB9ANPC1CHRNB2
SCHEMBL7374040 0.81 CHRNB2 (0.56) ALDH1A1RAB9ANPC1CHRNB2CHRNB4
SCHEMBL7372735 0.81 CHRNB2 (0.49) ALDH1A1RAB9ANPC1CHRNB2CHRNB4
SCHEMBL7379522 0.81 NPC1 (0.56) ALDH1A1RAB9ANPC1CHRNB2CHRNB4
SCHEMBL7374859 0.81 NAMPT (0.52) KDM4ETRPV1ALDH1A1RAB9ANPC1
SCHEMBL7379111 0.81 POLB (0.52) ALDH1A1RAB9ANPC1CHRNB2CHRNB4
SCHEMBL6791908 0.80 KMT2A (0.49) KDM4EALDH1A1KMT2ACYP3A4POLB

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