SCHEMBL19791995

SCHEMBL19791995

CC(N)(CN)CCc1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
RIPK1 Q13546 1/20 0.37
DAO P14920 2/20 0.36
TAAR1 Q96RJ0 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
SLC6A2 P23975 1/20 0.34
KCNH2 Q12809 2/20 0.33
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL3905525 0.80 TAAR1 (0.52) TAAR1KCNH2TMEM97SIGMAR1MAOA
SCHEMBL9969447 0.80 ALDH1A1 (0.43) ALDH1A1HTTRIPK1DAOKCNH2
SCHEMBL631580 0.75 TAAR1 (0.58) ALDH1A1DAOTAAR1SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL1585557 0.73 TAAR1 (0.56) ALDH1A1TAAR1SLC6A3SLC6A2KDM4E
SCHEMBL15735957 0.72 KCNH2 (0.39) ALDH1A1HTTRIPK1DAOKCNH2
SCHEMBL16105820 0.72 DAO (0.55) ALDH1A1HTTDAOTAAR1MAOA
SCHEMBL562364 0.72 SLC6A2 (0.55) ALDH1A1HTTRIPK1DAOTAAR1
SCHEMBL5981842 0.72 TAAR1 (0.48) ALDH1A1TAAR1SLC6A2HTR2AATM
SCHEMBL895460 0.71 CYP2D6 (0.49) ALDH1A1HTTDAOTAAR1SLC6A3
SCHEMBL15787604 0.71 SLC6A2 (0.49) DAOTAAR1SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3272749-A1 AMINO-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE Bayer Pharma Aktiengesellschaft (DE) 2018-01-24 EP disclosed