SCHEMBL14469469

SCHEMBL14469469

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3ccc4cc(OC)ccc4c3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.49
▸ POLB P06746 1/20 0.49
▸ FAAH O00519 1/20 0.47
▸ MTNR1B P49286 1/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ LTA4H P09960 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL14469459 0.88 KDM4E (0.56) KDM4EPOLBFAAHALDH1A1MAPK1
SCHEMBL14469468 0.86 KDM4E (0.48) KDM4EPOLBALDH1A1MAPK1SMN1; SMN2
SCHEMBL14469449 0.85 KMT2A (0.53) KDM4EPOLBFAAHALDH1A1MAPK1
SCHEMBL14469568 0.84 S1PR5 (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2CYP2D6
SCHEMBL14469549 0.83 KDM4E (0.50) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL14469456 0.83 SMN1; SMN2 (0.50) KDM4EPOLBFAAHALDH1A1KMT2A
SCHEMBL14469475 0.83 ALDH1A1 (0.47) KDM4EPOLBMTNR1BALDH1A1MAPK1
SCHEMBL14469562 0.83 L3MBTL1 (0.47) KDM4EPOLBALDH1A1MAPK1KMT2A
SCHEMBL14469452 0.83 SMN1; SMN2 (0.47) KDM4EKMT2AMEN1SMN1; SMN2CYP3A4
SCHEMBL14469476 0.82 FAAH (0.50) KDM4EPOLBFAAHALDH1A1KMT2A

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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