SCHEMBL14469464

SCHEMBL14469464

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3cccc(O)c3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ KDM4E B2RXH2 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ADRB2 P07550 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL14469115 0.90 MEN1 (0.49) MEN1KMT2ATSHRKDM4EPOLB
SCHEMBL14469179 0.90 ADRB2 (0.54) MEN1KMT2ATSHRKDM4ESMN1; SMN2
SCHEMBL14469477 0.89 KMT2A (0.58) MEN1KMT2ATSHRKDM4ESMN1; SMN2
SCHEMBL14469562 0.89 L3MBTL1 (0.47) MEN1KMT2ATSHRKDM4ESMN1; SMN2
SCHEMBL14469553 0.87 KDM4E (0.61) MEN1KMT2ATSHRKDM4ESMN1; SMN2
SCHEMBL14469463 0.85 KDM4E (0.48) MEN1KMT2AKDM4ESMN1; SMN2POLB
SCHEMBL14469559 0.85 KDM4E (0.46) MEN1KMT2ATSHRKDM4ESMN1; SMN2
SCHEMBL14469475 0.85 ALDH1A1 (0.47) MEN1KMT2ATSHRKDM4ESMN1; SMN2
SCHEMBL14469190 0.85 CYP3A4 (0.48) MEN1KMT2ATSHR
SCHEMBL14469460 0.84 KMT2A (0.51) MEN1KMT2ATSHRKDM4ESMN1; 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 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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