SCHEMBL14469180

SCHEMBL14469180

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.49
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ ALDH1A2 O94788 1/20 0.45
▸ ALDH2 P05091 1/20 0.45
▸ ALDH3A1 P30838 1/20 0.45
▸ ALDH1A3 P47895 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.44
▸ ACHE P22303 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ FAAH O00519 1/20 0.42

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
SCHEMBL14469179 0.86 ADRB2 (0.54) ADRB2MEN1KMT2AKDM4ETSHR
SCHEMBL14469462 0.77 FAAH (0.50) KDM4EPOLBALDH1A1FAAH
SCHEMBL14469559 0.77 KDM4E (0.46) ADRB2MEN1KMT2AKDM4ETSHR
SCHEMBL8228179 0.77 ADRB2 (0.77) ADRB2MEN1KMT2AKDM4ETSHR
SCHEMBL14469477 0.77 KMT2A (0.58) ADRB2MEN1KMT2AKDM4ETSHR
SCHEMBL14469464 0.77 MEN1 (0.45) ADRB2MEN1KMT2AKDM4ETSHR
SCHEMBL14456715 0.77 MEN1 (0.69) ADRB2MEN1KMT2AKDM4ETSHR
SCHEMBL14469115 0.76 MEN1 (0.49) ADRB2MEN1KMT2AKDM4ETSHR
SCHEMBL14469549 0.75 KDM4E (0.50) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL14456710 0.75 ADRB2 (0.67) ADRB2MEN1KMT2ATSHRALOX15

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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