SCHEMBL4380966

SCHEMBL4380966

CCOc1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.42
KCNH2 Q12809 2/20 0.41
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2D6 P10635 4/20 0.41
CYP19A1 P11511 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
HRH3 Q9Y5N1 1/20 0.40
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4386689 0.88 LMNA (0.45) ALDH1A1KDM4ESMN1; SMN2LMNAKCNH2
SCHEMBL7987297 0.87 HRH3 (0.54) ALDH1A1SMN1; SMN2LMNAKCNH2CYP1A2
SCHEMBL7991257 0.85 CYP3A4 (0.45) ALDH1A1KDM4ESMN1; SMN2LMNACYP1A2
SCHEMBL7961327 0.84 RAB9A (0.43) ALDH1A1LMNAKCNH2HRH3KMT2A
SCHEMBL7988365 0.83 MEN1 (0.48) ALDH1A1KDM4ESMN1; SMN2LMNAKCNH2
SCHEMBL4379596 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAKCNH2TSHR
SCHEMBL4377932 0.82 KCNH2 (0.40) ALDH1A1SMN1; SMN2LMNAKCNH2CYP1A2
SCHEMBL7977335 0.82 SMN1; SMN2 (0.51) SMN1; SMN2HRH3MAPT
SCHEMBL7991392 0.81 HRH3 (0.33) SMN1; SMN2LMNAHRH3
SCHEMBL4376133 0.81 HRH3 (0.46) KCNH2CYP3A4CYP2D6CYP2C9HRH3

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
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