SCHEMBL14469551

SCHEMBL14469551

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ HTT P42858 1/20 0.48
▸ RAB9A P51151 1/20 0.47
▸ ALOX15 P16050 1/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ CHRM4 P08173 1/20 0.46
▸ CHRM5 P08912 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ MTNR1B P49286 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
SCHEMBL14469114 0.90 RAB9A (0.41) KDM4EALDH1A1HTTRAB9AALOX15
SCHEMBL14469552 0.90 ALDH1A1 (0.49) KDM4EALDH1A1HTTRAB9AALOX15
SCHEMBL14469466 0.89 MEN1 (0.39) KDM4EALDH1A1RAB9AALOX15SMN1; SMN2
SCHEMBL14469560 0.88 ALDH1A1 (0.47) KDM4EALDH1A1HTTALOX15LMNA
SCHEMBL14469479 0.88 CCR5 (0.52) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL14469113 0.88 ALDH1A1 (0.46) KDM4EALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL14469569 0.87 ALDH1A1 (0.47) KDM4EALDH1A1RAB9AALOX15SMN1; SMN2
SCHEMBL14469554 0.87 SMN1; SMN2 (0.40) KDM4EALDH1A1RAB9AALOX15SMN1; SMN2
SCHEMBL14469451 0.86 TSHR (0.46) KDM4EALDH1A1RAB9AALOX15LMNA
SCHEMBL14469471 0.86 ALDH1A1 (0.48) KDM4EALDH1A1RAB9ALMNASMN1; 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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