SCHEMBL7980835

SCHEMBL7980835

Cn1cccc1CCNC(=O)CCn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 9/20 0.50
TK1 P04183 1/20 0.50
PNP P00491 6/20 0.47
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
EDNRA P25101 1/20 0.44
HTR2A P28223 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
HBB P68871 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL7396466 0.85 HPRT1 (0.47) HPRT1PNP
SCHEMBL7982329 0.83 TK1 (0.57) HPRT1TK1PNPUSP2TSHR
SCHEMBL7575116 0.83 TK1 (0.59) HPRT1TK1PNPUSP2TSHR
SCHEMBL7570078 0.83 TK1 (0.65) HPRT1TK1PNPUSP2TSHR
SCHEMBL7567095 0.82 TK1 (0.60) HPRT1TK1PNPUSP2TSHR
SCHEMBL7576803 0.81 TK1 (0.60) HPRT1TK1PNP
SCHEMBL7570901 0.80 CA1 (0.55) HPRT1TK1PNPHSD17B10
SCHEMBL7586861 0.79 HINT1 (0.57) HPRT1TK1PNP
SCHEMBL7572289 0.79 TK1 (0.60) HPRT1TK1PNPUSP2TSHR
SCHEMBL7567140 0.79 PNP (0.64) HPRT1TK1PNPUSP2TSHR

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
US-6297226-B1 TREATING A DISEASE OR A CONDITION IN A MAMMAL TREATABLE BY INHIBITING THE ACTIVITY OF A MONOAMINE OXIDASE NEOTHERAPEUTICS, INC. 2001-10-02 US claimed
US-6297226-B1 TREATING A DISEASE OR A CONDITION IN A MAMMAL TREATABLE BY INHIBITING THE ACTIVITY OF A MONOAMINE OXIDASE NEOTHERAPEUTICS, INC. 2001-10-02 US disclosed