SCHEMBL4793576

SCHEMBL4793576

CCCn1c(Cc2ccc(C(=O)C3CCCN3C3CCNC3)cc2)nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ AGTR1 P30556 2/20 0.38
▸ AGTR2 P50052 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ PPARG P37231 1/20 0.37

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
SCHEMBL4889725 0.93 KCNH2 (0.42) DRD2TBXA2RKCNH2AGTR1AGTR2
SCHEMBL4764354 0.92 POLB (0.41) MEN1KMT2AALDH1A1RECQLMAPT
SCHEMBL4790935 0.91 DRD2 (0.42) KMT2ADRD2TBXA2RKCNH2CNR2
SCHEMBL4791508 0.89 LMNA (0.42) MEN1KMT2ADRD2TBXA2RKCNH2
SCHEMBL4764592 0.83 HRH3 (0.54) KCNH2
SCHEMBL4792764 0.80 ADAM17 (0.46) MEN1KMT2AMAPT
SCHEMBL4765934 0.79 MGLL (0.40) ALDH1A1
SCHEMBL4724233 0.78 HPGD (0.54) KMT2AALDH1A1SMN1; SMN2
SCHEMBL4161023 0.77 HRH3 (0.52) KCNH2
SCHEMBL4793698 0.77 KCNH2 (0.39) MEN1KMT2AKCNH2SMN1; SMN2MAPT

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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