SCHEMBL14469114

SCHEMBL14469114

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3ccccc3OCC(=O)OC)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ RORC P51449 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL14469551 0.90 KDM4E (0.48) RAB9AALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL14469466 0.88 MEN1 (0.39) RAB9AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL14469554 0.85 SMN1; SMN2 (0.40) RAB9AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL14469560 0.84 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ESMN1; SMN2HTT
SCHEMBL14469569 0.83 ALDH1A1 (0.47) RAB9AALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL14469451 0.82 TSHR (0.46) RAB9AALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL14469552 0.82 ALDH1A1 (0.49) RAB9AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL14469473 0.81 KMT2A (0.43) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL14469461 0.81 HDAC1 (0.46) KDM4ESMN1; SMN2MEN1KMT2AALOX15
SCHEMBL14469113 0.80 ALDH1A1 (0.46) RAB9AALDH1A1MAPTKDM4ESMN1; 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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