SCHEMBL4385060

SCHEMBL4385060

CCOC(=O)CCCc1c[nH]cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX5 P09917 1/20 0.43
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
TNF P01375 8/20 0.40
CYP4Z1 Q86W10 1/20 0.39
CYP4F11 Q9HBI6 1/20 0.39
CYP4F12 Q9HCS2 1/20 0.39
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE4D Q08499 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 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
SCHEMBL8448307 0.91 CYP4F2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9555487 0.86 LTA4H (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13262678 0.84 TSHR (0.44) SMN1; SMN2MAPT
SCHEMBL18381220 0.84 CYP3A4 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL7420112 0.83 LTA4H (0.42) CYP4F2CYP4A11MAPT
SCHEMBL1441637 0.81 KMT2A (0.44) CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11296881 0.79 CTDSP1 (0.38) SMN1; SMN2MAPT
SCHEMBL8113271 0.77 TDP1 (0.50) SMN1; SMN2ALOX5MAPT
SCHEMBL18906027 0.77 SMN1; SMN2 (0.41) CYP1A2CYP2C19SMN1; SMN2MAPT
SCHEMBL13092502 0.77 DGKA (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5428160-A Condensation of imidazole derivative with cyano- or halo-substituted benzene derivative containing leaving group esterified with carboxylic or sulfonic acid CIBA-GEIGY CORPORATION (US) 1995-06-27 US disclosed
EP-0165904-B1 SUBSTITUTED BICYCLE COMPOUNDS CIBA-GEIGY AG (CH) 1991-04-10 EP disclosed
US-4889861-A Substituted imidazo[1,5-a]pyridine derivatives and other substituted bicyclic derivatives and their use as aromatase inhibitors CIBA-GEIGY CORP. (US) 1989-12-26 US disclosed
US-4728645-A THROMBOXANE SYNTHETASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1988-03-01 US disclosed
US-4617307-A Substituted imidazo[1,5-A]pyridine derivatives as aromatase inhibitors CIBA-GEIGY CORPORATION (US) 1986-10-14 US disclosed
EP-0165904-A2 Substituted bicycle compounds CIBA-GEIGY AG (CH) 1985-12-27 EP disclosed