SCHEMBL7972926

SCHEMBL7972926

Cc1ccc(NC(=O)OCCCc2c[nH]cn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
RECQL P46063 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 2/20 0.43
CASP1 P29466 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
MCL1 Q07820 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7994461 0.88 RAB9A (0.47) SMN1; SMN2NPC1RAB9ARECQLALDH1A1
SCHEMBL7973065 0.88 NPC1 (0.49) SMN1; SMN2NPC1RAB9ARECQLHPGD
SCHEMBL7974587 0.88 NPC1 (0.46) SMN1; SMN2NPC1RAB9ARECQL
SCHEMBL7971223 0.88 MEN1 (0.52) SMN1; SMN2NPC1RAB9ARECQLMAPT
SCHEMBL7961372 0.87 NPC1 (0.62) SMN1; SMN2NPC1RAB9ARECQLLMNA
SCHEMBL7960977 0.84 NPC1 (0.43) SMN1; SMN2NPC1RAB9ARECQLMAPT
SCHEMBL8934796 0.82 EPHX2 (0.46) NPC1RAB9ALMNA
SCHEMBL4387581 0.80 RAB9A (0.63) SMN1; SMN2NPC1RAB9ARECQLALDH1A1
SCHEMBL19011398 0.79 SMN1; SMN2 (0.58) PKMSMN1; SMN2NPC1RAB9ARECQL
SCHEMBL7977123 0.79 RAB9A (0.45) SMN1; SMN2NPC1RAB9ARECQLLMNA

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-RE37303-E1 Imidazole compounds and their therapeutic applications INSTITUT NATIONAL DEL LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2001-07-31 US claimed
US-RE37303-E1 Imidazole compounds and their therapeutic applications INSTITUT NATIONAL DEL LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2001-07-31 US disclosed
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US disclosed
US-5559113-A ANTAGONISTS TO HISTAMINE H3 RECEPTORS, SEDATIVES, ANTICONVULSANTS, ANTIULCER AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE 1996-09-24 US disclosed