SCHEMBL4381005

SCHEMBL4381005

O=C(COCCCc1c[nH]cn1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
L3MBTL1 Q9Y468 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
TSHR P16473 1/20 0.36
NPC1 O15118 3/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
CYP2C9 P11712 1/20 0.35
HSD11B1 P28845 1/20 0.35
LMNA P02545 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7977166 0.82 KMT2A (0.46) NPC1MAPTRAB9AKMT2A
Hydrochloric Acid SCHEMBL9459758 0.82 CYP4F2 (0.37)
SCHEMBL7987181 0.79 GAA (0.55) SMN1; SMN2CYP2C19L3MBTL1MAPTCYP2C9
Proxyfan SCHEMBL15130144 0.79 HRH3 (0.48) SMN1; SMN2L3MBTL1TDP1NPC1RAB9A
SCHEMBL7977532 0.78 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1TDP1NPC1RAB9A
SCHEMBL7987202 0.78 HRH2 (0.48) L3MBTL1NPC1MAPTRAB9AKMT2A
SCHEMBL7960978 0.77 HRH3 (0.47) LMNAKMT2A
SCHEMBL7987556 0.76 HRH3 (0.42) KMT2A
Proxyfan SCHEMBL4072620 0.76 HRH3 (0.54) L3MBTL1TDP1TSHRKMT2A
SCHEMBL4376108 0.76 NPC1 (0.48) SMN1; SMN2L3MBTL1TSHRNPC1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO claimed
EP-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP disclosed
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO disclosed