SCHEMBL4792620

SCHEMBL4792620

CC1(Cc2ccc(Cn3cnc4cc(F)ccc43)cc2)CCCN1C1CCNC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 13/20 0.39
▸ PRPS1 P60891 1/20 0.38
▸ NTRK1 P04629 2/20 0.36
▸ CSF1R P07333 2/20 0.36
▸ NTRK2 Q16620 2/20 0.36
▸ QPCT Q16769 1/20 0.36
▸ QPCTL Q9NXS2 1/20 0.36
▸ CCR3 P51677 1/20 0.36

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
SCHEMBL4792148 0.85 CDK9 (0.42) CDK9PRPS1
SCHEMBL4792357 0.77 PRPS1 (0.40) CDK9PRPS1NTRK1CSF1RNTRK2
SCHEMBL4790266 0.73 CDK9 (0.42) CDK9PRPS1
SCHEMBL4765961 0.68 HRH3 (0.48) PRPS1QPCTQPCTL
SCHEMBL2879067 0.67 HRH3 (0.52) PRPS1QPCTQPCTL
SCHEMBL4752964 0.66 CCR3 (0.51) PRPS1CCR3
SCHEMBL2882039 0.66 ALDH1A1 (0.42) PRPS1QPCTQPCTL
SCHEMBL24041738 0.65 MET (0.53) CDK9QPCTQPCTL
SCHEMBL2886675 0.65 HRH3 (0.52) QPCTQPCTL
SCHEMBL19911426 0.65 CYP11B1 (0.66) QPCTQPCTL

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
EP-1994022-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-11-26 — — EP claimed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 — — WO claimed
EP-1994022-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-11-26 — — EP disclosed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 — — WO disclosed
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