SCHEMBL6620173

SCHEMBL6620173

Nc1cccc(-c2ccc(CCN3CCC(NC(=O)Nc4ccccc4)CC3)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.62
NOS3 P29474 6/20 0.62
CHRM2 P08172 1/20 0.60
CHRM4 P08173 1/20 0.60
CXCR3 P49682 2/20 0.58
DRD2 P14416 3/20 0.53
DRD4 P21917 2/20 0.53
KMT2A Q03164 2/20 0.53
DRD3 P35462 1/20 0.53
ALDH1A1 P00352 3/20 0.49
SIGMAR1 Q99720 1/20 0.49
CCR3 P51677 2/20 0.48
POLB P06746 1/20 0.47
DCUN1D1 Q96GG9 1/20 0.47
HTR1A P08908 2/20 0.47
HTR2A P28223 1/20 0.46
F10 P00742 1/20 0.46
HPN P05981 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46

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
SCHEMBL6622395 0.95 NOS1 (0.58) NOS1NOS3CHRM2CHRM4CXCR3
SCHEMBL6618553 0.88 NOS1 (0.64) NOS1NOS3CHRM2CHRM4CXCR3
SCHEMBL6622214 0.86 NOS1 (0.57) NOS1NOS3CHRM2CHRM4CXCR3
SCHEMBL6619969 0.84 NOS1 (0.57) NOS1NOS3CHRM2CHRM4CXCR3
SCHEMBL6620712 0.83 NOS1 (0.60) NOS1NOS3CHRM2CHRM4CXCR3
SCHEMBL6620438 0.83 NOS1 (0.73) NOS1NOS3CHRM2CHRM4DRD2
SCHEMBL6620343 0.82 NOS1 (0.65) NOS1NOS3CHRM2CHRM4SIGMAR1
SCHEMBL6621169 0.81 NOS1 (0.59) NOS1NOS3CHRM2CHRM4DRD2
SCHEMBL13663054 0.80 CXCR3 (0.66) CXCR3DRD2DRD4KMT2ADRD3
SCHEMBL6622654 0.79 NOS1 (0.63) NOS1NOS3CHRM2CHRM4DRD2

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
CN-1168719-C 6-phenylpyridin-2-ylamine derivatives, pharmaceutical compositions and uses ������ҩ�����޹�˾ 2004-09-29 CN claimed
CN-1546470-A 6-phenylpyridyl-2-amine derivatives ������ҩ�����޹�˾ 2004-11-17 CN disclosed
CN-1168719-C 6-phenylpyridin-2-ylamine derivatives, pharmaceutical compositions and uses ������ҩ�����޹�˾ 2004-09-29 CN disclosed
EP-0891332-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER (US) 2004-03-17 EP disclosed