SCHEMBL6264255

SCHEMBL6264255

O=C(C=Cc1cccnc1)NCCCCN1CCC(C2c3ccccc3CCc3ccccc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.55
DRD2 P14416 4/20 0.55
NAMPT P43490 4/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX5 P09917 1/20 0.49
CCR2 P41597 8/20 0.49
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
OPRL1 P41146 1/20 0.47

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
SCHEMBL6264257 1.00 DRD3 (0.55) DRD3DRD2NAMPTCYP3A4CYP2C9
SCHEMBL6269008 0.99 DRD3 (0.55) DRD3DRD2NAMPTCYP3A4CYP2C9
SCHEMBL6269010 0.99 DRD3 (0.55) DRD3DRD2NAMPTCYP3A4CYP2C9
SCHEMBL6268380 0.99 DRD3 (0.55) DRD3DRD2NAMPTCYP3A4CYP2C9
SCHEMBL6268378 0.99 DRD3 (0.55) DRD3DRD2NAMPTCYP3A4CYP2C9
SCHEMBL6267972 0.91 DRD3 (0.57) DRD3DRD2NAMPTCYP3A4CYP2C9
SCHEMBL6267971 0.91 DRD3 (0.57) DRD3DRD2NAMPTCYP3A4CYP2C9
SCHEMBL6266232 0.90 DRD3 (0.54) DRD3DRD2NAMPTCYP3A4CYP2C9
SCHEMBL6266237 0.90 DRD3 (0.54) DRD3DRD2NAMPTCYP3A4CYP2C9
SCHEMBL3081179 0.87 DRD2 (0.58) DRD3DRD2NAMPTCYP3A4CYP2C9

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-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 EP claimed
US-20050260518-A1 Heat sensitive recording material and microcapsule FUJI PHOTO FILM CO., LTD. 2005-11-24 US disclosed
EP-1598206-A2 Heat sensitive recording material and microcapsule FUJI PHOTO FILM CO., LTD. (JP) 2005-11-23 EP disclosed