SCHEMBL14469177

SCHEMBL14469177

C=C(N)/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3ccccc3OC(F)F)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ RAB9A P51151 1/20 0.39
▸ EPHX2 P34913 1/20 0.37
▸ KDM4E B2RXH2 6/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ TSHR P16473 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MTNR1B P49286 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL14469172 0.89 EPHX2 (0.49) MEN1KMT2ARAB9AEPHX2
SCHEMBL14469188 0.85 ALDH1A1 (0.46) MEN1KMT2ARAB9AKDM4ESMN1; SMN2
SCHEMBL14469186 0.82 ALDH1A1 (0.47) MEN1KMT2AKDM4ESMN1; SMN2TSHR
SCHEMBL14469187 0.80 MEN1 (0.43) MEN1KMT2ARAB9AEPHX2KDM4E
SCHEMBL14469193 0.80 POLB (0.43) MEN1KMT2ASMN1; SMN2TSHRMAPK1
SCHEMBL14469170 0.79 KDM4E (0.48) MEN1KMT2AEPHX2KDM4ESMN1; SMN2
SCHEMBL14469551 0.79 KDM4E (0.48) MEN1KMT2ARAB9AKDM4ESMN1; SMN2
SCHEMBL14469298 0.78 MEN1 (0.47) MEN1KMT2AEPHX2KDM4ESMN1; SMN2
SCHEMBL14469365 0.78 KDM4E (0.48) MEN1KMT2ARAB9AKDM4ESMN1; SMN2
SCHEMBL14469573 0.78 MTNR1B (0.39) MEN1KMT2AKDM4ESMN1; SMN2TSHR

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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