SCHEMBL4012517

SCHEMBL4012517

O=C(c1ccc(-n2cc3cc(F)ccc3n2)cc1)[C@H]1CCCN1[C@H]1CCNC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCG P01275 1/20 0.35
▸ PARP1 P09874 9/20 0.34
▸ KDM2B Q8NHM5 1/20 0.34
▸ PARP2 Q9UGN5 3/20 0.33
▸ PARP3 Q9Y6F1 3/20 0.33
▸ TNKS O95271 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ PARP15 Q460N3 1/20 0.33
▸ PARP14 Q460N5 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ PARP12 Q9H0J9 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ PARP4 Q9UKK3 1/20 0.33

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
SCHEMBL4158337 0.80 SMO (0.44) —
SCHEMBL4169878 0.80 MGLL (0.42) KCNH2MAPTMEN1RECQLKMT2A
SCHEMBL3846301 0.76 SCN9A (0.41) KDM2BPARP10HRH3
SCHEMBL3862104 0.76 SCN9A (0.41) KDM2BPARP10HRH3
SCHEMBL4790266 0.75 CDK9 (0.42) HRH3
SCHEMBL3846304 0.73 HTR2C (0.42) KDM2BSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3843546 0.72 HTR2C (0.41) KDM2BSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4161023 0.71 HRH3 (0.52) KCNH2HRH3
SCHEMBL4162409 0.71 FFAR4 (0.33) PARP1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL4164731 0.71 FFAR4 (0.33) PARP1SLC6A2SLC6A4SLC6A3MAPT

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-2074088-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth (US) 2009-07-01 — — EP claimed
WO-2008045371-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-04-17 — — WO claimed
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