SCHEMBL4790887

SCHEMBL4790887

Cc1nc2cc(Cl)ccc2n1C(C)c1ccc(C(=O)C2CCCN2C2CCNC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CNR2 P34972 3/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CCR4 P51679 3/20 0.33
▸ BACE1 P56817 5/20 0.33
▸ CTSD P07339 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ BACE2 Q9Y5Z0 1/20 0.32
▸ FABP4 P15090 1/20 0.32
▸ OPRM1 P35372 1/20 0.31

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
SCHEMBL4790952 0.84 HRH3 (0.42) BACE1KCNH2
SCHEMBL4791701 0.82 HRH3 (0.35) CNR2CNR1CCR4KCNH2OPRM1
SCHEMBL4761940 0.79 HRH3 (0.42) KCNH2
SCHEMBL4793189 0.76 HRH3 (0.40) SMN1; SMN2KCNH2
SCHEMBL5483868 0.74 HPGD (0.48) L3MBTL1CNR1HPGDSMN1; SMN2
SCHEMBL4161023 0.73 HRH3 (0.52) KCNH2
SCHEMBL5139829 0.73 HTR2C (0.42) —
SCHEMBL5131548 0.73 HTR2C (0.42) —
SCHEMBL2879601 0.73 HRH3 (0.54) L3MBTL1HPGDSMN1; SMN2
SCHEMBL2885504 0.73 HRH3 (0.54) L3MBTL1HPGDSMN1; SMN2

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
Send feedback