SCHEMBL14469285

SCHEMBL14469285

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3ccc(N=O)cc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ TP53 P04637 1/20 0.39

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
SCHEMBL14469562 0.89 L3MBTL1 (0.47) L3MBTL1MEN1TSHRKMT2AKDM4E
SCHEMBL14469477 0.88 KMT2A (0.58) MEN1TSHRKMT2AKDM4ESMN1; SMN2
SCHEMBL14469190 0.87 CYP3A4 (0.48) MEN1TSHRKMT2A
SCHEMBL14469460 0.87 KMT2A (0.51) MEN1TSHRKMT2AKDM4ESMN1; SMN2
SCHEMBL14469179 0.85 ADRB2 (0.54) L3MBTL1MEN1TSHRKMT2AKDM4E
SCHEMBL14469456 0.84 SMN1; SMN2 (0.50) MEN1TSHRKMT2AKDM4ESMN1; SMN2
SCHEMBL14469450 0.84 KDM4E (0.45) L3MBTL1MEN1TSHRKMT2AKDM4E
SCHEMBL14469549 0.84 KDM4E (0.50) L3MBTL1MEN1TSHRKMT2AKDM4E
SCHEMBL14469449 0.84 KMT2A (0.53) L3MBTL1MEN1TSHRKMT2AKDM4E
SCHEMBL14469475 0.84 ALDH1A1 (0.47) L3MBTL1MEN1TSHRKMT2AKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007075555-A2 COMBINATION OF AN H3 ANTAGONIST/INVERSE AGONIST AND AN APPETITE SUPPRESSANT SCHERING CORPORATION (US) 2007-07-05 — — WO disclosed
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