SCHEMBL14469115

SCHEMBL14469115

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ KDM4E B2RXH2 6/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ GPR183 P32249 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ TSHR P16473 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ FAAH O00519 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43
▸ ADRB2 P07550 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
SCHEMBL14469464 0.90 MEN1 (0.45) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL14469179 0.89 ADRB2 (0.54) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL14469477 0.89 KMT2A (0.58) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL14469475 0.88 ALDH1A1 (0.47) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL14469474 0.85 MTNR1B (0.49) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL14469553 0.85 KDM4E (0.61) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL14469559 0.85 KDM4E (0.46) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL14469463 0.85 KDM4E (0.48) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL14469562 0.84 L3MBTL1 (0.47) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL14469190 0.84 CYP3A4 (0.48) MEN1KMT2ATSHRCYP2D6

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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