SCHEMBL8563013

SCHEMBL8563013

Cc1cn2ccc(C)c(N(C)c3c(Cl)cccc3Cl)c2n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 1/20 0.35
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
PDE10A Q9Y233 1/20 0.32
MAPT P10636 1/20 0.31
GRM5 P41594 1/20 0.31
LCK P06239 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8561061 0.81 PDE10A (0.38) DOT1LKDM4ENPC1RAB9AALDH1A1
SCHEMBL8563007 0.73 ADRA2B (0.37) KDM4ENPC1RAB9AMAPTLCK
SCHEMBL10426160 0.72 PDE10A (0.56) KDM4ENPC1RAB9AALDH1A1PKM
SCHEMBL20085840 0.72 ALDH1A1 (0.38) KDM4ENPC1RAB9AALDH1A1PKM
SCHEMBL10691127 0.72 CYP1A2 (0.42) KDM4ENPC1RAB9AALDH1A1PKM
SCHEMBL25151349 0.65 ALDH1A1 (0.38) KDM4ENPC1RAB9AALDH1A1PKM
SCHEMBL31240925 0.65 L3MBTL1 (0.37) KDM4ENPC1RAB9AALDH1A1PKM
SCHEMBL5633143 0.65 ALDH1A1 (0.34) KDM4ENPC1RAB9AALDH1A1PKM
SCHEMBL5634860 0.65 ALDH1A1 (0.38) KDM4ENPC1RAB9AALDH1A1PKM
SCHEMBL3971488 0.65 NPC1 (0.61) KDM4ENPC1RAB9AALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0596406-B1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1998-12-16 EP disclosed
US-5750699-A HALOGENATING OF CORRESPONDING COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
US-5574042-A ANTAGONIST FOR BRADYKININS AS ANTIALLERGENS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, SHOCK OR PAIN FUJISAWA PHARMACEUTICAL CO., LTD (JP) 1996-11-12 US disclosed
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 EP disclosed