SCHEMBL8450822

SCHEMBL8450822

Cc1cc(-c2cccc(N)n2)ccc1CCN1CCN(CC(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.60
NOS3 P29474 5/20 0.60
CHRM2 P08172 1/20 0.60
CHRM4 P08173 1/20 0.60
HTR2A P28223 10/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR2C P28335 6/20 0.41
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 2/20 0.39

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
SCHEMBL6619794 0.92 NOS1 (0.72) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL8575520 0.91 NOS1 (0.62) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL7157648 0.89 NOS1 (0.58) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL6620863 0.85 NOS1 (0.83) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL6621035 0.84 NOS1 (0.72) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL6621913 0.84 NOS1 (0.65) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL27594386 0.84 NOS1 (0.49) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL6620835 0.81 NOS1 (0.74) NOS1NOS3CHRM2CHRM4
SCHEMBL27549067 0.81 NOS1 (0.44) NOS1NOS3CHRM2CHRM4HTR2A
SCHEMBL6623791 0.80 NOS1 (0.68) NOS1NOS3CHRM2CHRM4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891332-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1999-01-20 EP disclosed
WO-1997036871-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1997-10-09 WO disclosed