SCHEMBL4790935

SCHEMBL4790935

COCCn1c(Cc2ccc(C(=O)C3CCCN3C3CCNC3)cc2)nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ REN P00797 1/20 0.41
▸ KCNH2 Q12809 1/20 0.38
▸ PTGER4 P35408 2/20 0.38
▸ GRM2 Q14416 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ GLP1R P43220 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HRH3 Q9Y5N1 2/20 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
SCHEMBL4793576 0.91 MEN1 (0.40) DRD2TBXA2RKCNH2CNR2KMT2A
SCHEMBL4764354 0.90 POLB (0.41) TSHRKMT2A
SCHEMBL4889725 0.90 KCNH2 (0.42) DRD2TBXA2RKCNH2CNR2HRH3
SCHEMBL4791508 0.87 LMNA (0.42) DRD2TBXA2RRENKCNH2TSHR
SCHEMBL4764592 0.81 HRH3 (0.54) KCNH2RAB9AHRH3
SCHEMBL4792764 0.78 ADAM17 (0.46) TP53KMT2AHRH3
SCHEMBL4765934 0.77 MGLL (0.40) —
SCHEMBL4724233 0.76 HPGD (0.54) RAB9ANPC1TP53KMT2AHPGD
SCHEMBL4161023 0.75 HRH3 (0.52) KCNH2HRH3
SCHEMBL2884415 0.74 HRH3 (0.67) DRD2TBXA2RKMT2AHPGDHRH3

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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