SCHEMBL4791701

SCHEMBL4791701

CC(c1ccc(C(=O)C2CCCN2C2CCNC2)cc1)n1ccc2cc(Cl)ccc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CNR2 P34972 3/20 0.33
▸ OPRM1 P35372 3/20 0.33
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ CCR1 P32246 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ CCR4 P51679 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
SCHEMBL4791706 0.83 HRH3 (0.35) HRH3OPRM1NPY5RSLC6A2SLC6A4
SCHEMBL4790887 0.82 L3MBTL1 (0.36) CNR2OPRM1CNR1KCNH2CCR4
SCHEMBL4790952 0.75 HRH3 (0.42) HRH3HDAC1HDAC6KCNH2
SCHEMBL3839546 0.74 KDM4E (0.41) TP53
SCHEMBL4169878 0.73 MGLL (0.42) KCNH2
SCHEMBL5131548 0.73 HTR2C (0.42) HRH3SLC6A2SLC6A4
SCHEMBL5139829 0.73 HTR2C (0.42) HRH3SLC6A2SLC6A4
SCHEMBL4167473 0.73 MGLL (0.35) HDAC1HDAC6SLC6A2SLC6A4
SCHEMBL4166486 0.73 KDM2B (0.40) —
SCHEMBL4761940 0.73 HRH3 (0.42) HRH3HDAC1HDAC6KCNH2

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 claimed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 — — WO claimed
Send feedback