SCHEMBL14469170

SCHEMBL14469170

C=C(N)/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3cc(Cl)ccc3F)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MTNR1B P49286 1/20 0.47
▸ ADRB2 P07550 1/20 0.41
▸ GPR183 P32249 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GPR6 P46095 2/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ CXCR3 P49682 1/20 0.37

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 0.90 MEN1 (0.47) KDM4EALDH1A1KMT2AMEN1ALOX15
SCHEMBL14469186 0.88 ALDH1A1 (0.47) KDM4EALDH1A1KMT2AMEN1ALOX15
SCHEMBL14469187 0.87 MEN1 (0.43) KDM4EALDH1A1KMT2AMEN1ALOX15
SCHEMBL14469577 0.87 KDM4E (0.43) KDM4EALDH1A1KMT2AMEN1ALOX15
SCHEMBL14469188 0.86 ALDH1A1 (0.46) KDM4EALDH1A1KMT2AMEN1ALOX15
SCHEMBL14469365 0.85 KDM4E (0.48) KDM4EALDH1A1KMT2AMEN1ALOX15
SCHEMBL14469573 0.85 MTNR1B (0.39) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL14469292 0.85 ALDH1A1 (0.44) KDM4EALDH1A1KMT2AMEN1ALOX15
SCHEMBL14469474 0.81 MTNR1B (0.49) KDM4EALDH1A1KMT2AMEN1ALOX15
SCHEMBL14469256 0.81 ALDH1A1 (0.38) KDM4EALDH1A1KMT2AMEN1ALOX15

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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