SCHEMBL4383568

SCHEMBL4383568

NC(=O)OCCCc1cn(Cc2cccc(C(F)(F)F)c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.51
NR3C2 P08235 1/20 0.43
ATM Q13315 2/20 0.42
LMNA P02545 1/20 0.41
MAOB P27338 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX1 P07099 1/20 0.38
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
AURKB Q96GD4 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
ICMT O60725 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL28673196 0.80 LMNA (0.60) NR3C2LMNAMAOBEPHX1SIRT2
SCHEMBL8106477 0.75 NR3C2 (0.42) KDM4CNR3C2MAOBSMN1; SMN2SIRT2
SCHEMBL28561124 0.75 TAAR1 (0.57) NR3C2LMNAMAOBEPHX1SIRT2
SCHEMBL4388840 0.74 NR2E1 (0.41) LMNA
SCHEMBL21314979 0.73 KDM4C (0.67) KDM4CATMCYP3A4CYP2C9ALDH1A1
SCHEMBL30504022 0.73 KDM4C (0.67) KDM4CATMCYP3A4CYP2C9ALDH1A1
SCHEMBL18971775 0.72 KDM4C (0.56) KDM4CATMLMNAMAOBCYP3A4
SCHEMBL4383627 0.72 KDM5A (0.46) KDM4CLMNAMAOBALDH1A1
SCHEMBL7987563 0.72 LMNA (0.39) LMNATSHR
Hydrochloric Acid SCHEMBL18940405 0.71 KDM4C (0.55) KDM4CATMLMNAMAOBCYP3A4

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