SCHEMBL7974587

SCHEMBL7974587

O=C(Nc1ccc(I)cc1)OCCCc1c[nH]cn1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RECQL P46063 1/20 0.46
CHRNA7 P36544 2/20 0.42
TSHR P16473 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
SCHEMBL7972926 0.88 PKM (0.46) NPC1RAB9ASMN1; SMN2RECQL
SCHEMBL7973065 0.88 NPC1 (0.49) NPC1RAB9ASMN1; SMN2RECQL
SCHEMBL7971223 0.88 MEN1 (0.52) NPC1RAB9ASMN1; SMN2RECQL
SCHEMBL7961372 0.87 NPC1 (0.62) NPC1RAB9ASMN1; SMN2RECQLCHRNA7
SCHEMBL7977123 0.86 RAB9A (0.45) NPC1RAB9ASMN1; SMN2RECQLCHRNA7
SCHEMBL7994461 0.85 RAB9A (0.47) NPC1RAB9ASMN1; SMN2RECQL
SCHEMBL7960977 0.84 NPC1 (0.43) NPC1RAB9ASMN1; SMN2RECQL
SCHEMBL8934796 0.82 EPHX2 (0.46) NPC1RAB9ATSHR
SCHEMBL8119207 0.82 TDP1 (0.40) NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL7972626 0.81 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2RECQL

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 5 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-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 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