SCHEMBL4381409

SCHEMBL4381409

O=[N+]([O-])c1cccc(OCCCc2c[nH]cn2)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.52
CHRNA4 P43681 1/20 0.52
HPGD P15428 2/20 0.47
LMNA P02545 2/20 0.47
LTA4H P09960 1/20 0.45
PTGS2 P35354 1/20 0.45
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GRM5 P41594 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 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
SCHEMBL7974153 0.94 CHRNB2 (0.53) CHRNB2CHRNA4HPGDLMNALTA4H
SCHEMBL8794633 0.84 ENPP2 (0.40) CHRNB2CHRNA4HPGDLMNAMAPT
SCHEMBL7961200 0.80 EPHX2 (0.52) LMNAMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL7977166 0.80 KMT2A (0.46) HPGDMAPTALDH1A1RAB9A
SCHEMBL14028449 0.78 CHRNB2 (0.69) CHRNB2CHRNA4HPGDLMNALTA4H
SCHEMBL15498199 0.78 CHRNB2 (0.73) CHRNB2CHRNA4HPGDLMNALTA4H
SCHEMBL7974329 0.78 MEN1 (0.48) LMNALTA4HPTGS2MAPTALDH1A1
SCHEMBL7994413 0.78 HCAR2 (0.41)
SCHEMBL4383478 0.78 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4381027 0.77 MAOA (0.46) RAB9A

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 7 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-0783518-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-07-16 EP 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