SCHEMBL14469292

SCHEMBL14469292

C=C(N)/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3ccc(Cl)cc3NS(C)(=O)=O)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SLC2A2 P11168 2/20 0.40
▸ ADRB2 P07550 1/20 0.38
▸ MCHR1 Q99705 2/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ RORC P51449 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ MTNR1B P49286 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
SCHEMBL14469298 0.87 MEN1 (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1ALOX15
SCHEMBL14469170 0.85 KDM4E (0.48) ALDH1A1KDM4ESMN1; SMN2MEN1ALOX15
SCHEMBL14469577 0.83 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2MEN1ALOX15
SCHEMBL14469188 0.81 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2MEN1ALOX15
SCHEMBL14469187 0.81 MEN1 (0.43) ALDH1A1KDM4ESMN1; SMN2MEN1ALOX15
SCHEMBL14469186 0.80 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1ALOX15
SCHEMBL14469256 0.79 ALDH1A1 (0.38) ALDH1A1KDM4ESMN1; SMN2MEN1ALOX15
SCHEMBL14469366 0.78 CNR1 (0.58) ALDH1A1TSHRPOLB
SCHEMBL14469633 0.78 ALDH1A1 (0.37) ALDH1A1KDM4ESMN1; SMN2MEN1ALOX15
SCHEMBL14469582 0.77 CNR1 (0.47) SMN1; SMN2POLB

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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