SCHEMBL14469477

SCHEMBL14469477

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.58
▸ TSHR P16473 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ POLB P06746 1/20 0.53
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ ADRB2 P07550 1/20 0.49
▸ LMNA P02545 1/20 0.48

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
SCHEMBL14469460 0.94 KMT2A (0.51) KMT2ATSHRMEN1SMN1; SMN2KDM4E
SCHEMBL14469456 0.92 SMN1; SMN2 (0.50) KMT2ATSHRMEN1SMN1; SMN2KDM4E
SCHEMBL14469465 0.91 ALDH1A1 (0.49) KMT2ATSHRMEN1SMN1; SMN2KDM4E
SCHEMBL14469190 0.91 CYP3A4 (0.48) KMT2ATSHRMEN1
SCHEMBL14469562 0.91 L3MBTL1 (0.47) KMT2ATSHRMEN1SMN1; SMN2KDM4E
SCHEMBL14469179 0.91 ADRB2 (0.54) KMT2ATSHRMEN1SMN1; SMN2KDM4E
SCHEMBL14469464 0.89 MEN1 (0.45) KMT2ATSHRMEN1SMN1; SMN2KDM4E
SCHEMBL14469569 0.89 ALDH1A1 (0.47) KMT2ATSHRMEN1SMN1; SMN2KDM4E
SCHEMBL14469115 0.89 MEN1 (0.49) KMT2ATSHRMEN1KDM4EALDH1A1
SCHEMBL14469285 0.88 L3MBTL1 (0.44) KMT2ATSHRMEN1SMN1; SMN2KDM4E

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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