SCHEMBL6650407

SCHEMBL6650407

CN1C2CCC1CC(NCCc1ccc(-c3cccc(N)n3)cc1)C2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.51
NOS3 P29474 6/20 0.51
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
BRS3 P32247 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.38
ASIC3 Q9UHC3 1/20 0.38
SYK P43405 2/20 0.37
IDH1 O75874 1/20 0.35
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
GAS6 Q14393 1/20 0.33

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
SCHEMBL6630681 0.85 NOS1 (0.52) NOS1NOS3CHRM2CHRM4DRD2
SCHEMBL6630596 0.84 NOS1 (0.43) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6630688 0.83 NOS1 (0.43) NOS1NOS3
SCHEMBL6630895 0.82 NOS1 (0.46) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6618963 0.80 NOS1 (0.41) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6631029 0.80 NOS1 (0.47) NOS1NOS3CHRM2CHRM4
SCHEMBL6630085 0.79 NOS1 (0.50) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6632677 0.79 NOS1 (0.48) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6621811 0.79 NOS1 (0.44) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6622190 0.79 NOS1 (0.42) NOS1NOS3CHRM2CHRM4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1471055-A1 6-phenylpyridyl-2-amine derivatives PFIZER INC. (US) 2004-10-27 EP claimed
US-6235747-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC. 2001-05-22 US claimed
US-6235747-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC. 2001-05-22 US disclosed