SCHEMBL7962217

SCHEMBL7962217

Nc1cccc(-c2ccc(CCN3CCN(C(=O)CC4CCCC4)CC3)cc2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.70
NOS3 P29474 6/20 0.70
CHRM2 P08172 1/20 0.60
CHRM4 P08173 1/20 0.60
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.51
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRM3 P20309 2/20 0.41
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 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
SCHEMBL6618905 0.86 NOS1 (0.67) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6622654 0.83 NOS1 (0.63) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6622079 0.83 NOS1 (0.78) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6617467 0.82 NOS1 (1.00) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6619070 0.82 NOS1 (0.79) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL7962225 0.82 NOS1 (0.72) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6620648 0.82 NOS1 (0.73) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6620491 0.81 NOS1 (0.85) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6618617 0.81 NOS1 (0.85) NOS1NOS3CHRM2CHRM4HTR1A
SCHEMBL6617714 0.81 NOS1 (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235747-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC. 2001-05-22 US disclosed