SCHEMBL4792357

SCHEMBL4792357

Fc1ccc2c(c1)ncn2Cc1ccc(CC2CCCN2C2CCNC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRPS1 P60891 1/20 0.40
▸ CDK9 P50750 10/20 0.39
▸ QPCT Q16769 1/20 0.38
▸ QPCTL Q9NXS2 1/20 0.38
▸ CHI3L1 P36222 1/20 0.36
▸ CCR3 P51677 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ CHIT1 Q13231 1/20 0.35
▸ CHIA Q9BZP6 1/20 0.35
▸ NTRK1 P04629 2/20 0.34
▸ CSF1R P07333 2/20 0.34
▸ NTRK2 Q16620 2/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ HRH1 P35367 1/20 0.34

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
SCHEMBL4790266 0.83 CDK9 (0.42) PRPS1CDK9
SCHEMBL4792620 0.77 CDK9 (0.39) PRPS1CDK9QPCTQPCTLCCR3
SCHEMBL4792148 0.74 CDK9 (0.42) PRPS1CDK9
SCHEMBL4793189 0.73 HRH3 (0.40) PRPS1CDK9KCNH2
SCHEMBL2882039 0.72 ALDH1A1 (0.42) PRPS1QPCTQPCTLKCNH2
SCHEMBL4237634 0.71 SLC6A2 (0.50) CHI3L1
SCHEMBL3724429 0.71 SLC6A2 (0.50) CHI3L1
SCHEMBL4765961 0.70 HRH3 (0.48) PRPS1QPCTQPCTL
SCHEMBL5193918 0.70 HTR3A (0.40) CHI3L1KCNH2CHIT1CHIA
SCHEMBL2879067 0.69 HRH3 (0.52) PRPS1QPCTQPCTL

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
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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