SCHEMBL14469568

SCHEMBL14469568

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3ccc(OCCCC)cc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 6/20 0.52
▸ KMT2A Q03164 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ TP53 P04637 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HRH2 P25021 2/20 0.46
▸ HRH1 P35367 2/20 0.46
▸ HRH3 Q9Y5N1 3/20 0.44
▸ S1PR1 P21453 1/20 0.43
▸ L3MBTL1 Q9Y468 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
SCHEMBL14469449 0.93 KMT2A (0.53) S1PR5KMT2AALDH1A1MEN1TP53
SCHEMBL14469452 0.92 SMN1; SMN2 (0.47) S1PR5KMT2AMEN1CYP2D6RAB9A
SCHEMBL14469456 0.86 SMN1; SMN2 (0.50) KMT2AALDH1A1MEN1TP53SMN1; SMN2
SCHEMBL14469562 0.85 L3MBTL1 (0.47) KMT2AALDH1A1MEN1TP53SMN1; SMN2
SCHEMBL14469477 0.84 KMT2A (0.58) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL14469549 0.84 KDM4E (0.50) KMT2AALDH1A1MEN1L3MBTL1
SCHEMBL14469469 0.84 KDM4E (0.49) KMT2AALDH1A1MEN1CYP2D6SMN1; SMN2
SCHEMBL14469190 0.84 CYP3A4 (0.48) KMT2AMEN1CYP2D6
SCHEMBL14469555 0.83 SMN1; SMN2 (0.48) KMT2AALDH1A1MEN1RAB9ATP53
SCHEMBL14469460 0.83 KMT2A (0.51) KMT2AALDH1A1MEN1TP53SMN1; 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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