SCHEMBL14469456

SCHEMBL14469456

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ LTA4H P09960 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ FAAH O00519 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ POLB P06746 1/20 0.45

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
SCHEMBL14469477 0.92 KMT2A (0.58) SMN1; SMN2KMT2AMEN1TSHRKDM4E
SCHEMBL14469460 0.90 KMT2A (0.51) SMN1; SMN2TP53KMT2AMEN1TSHR
SCHEMBL14469462 0.89 FAAH (0.50) KDM4EFAAHALDH1A1POLB
SCHEMBL14469476 0.88 FAAH (0.50) SMN1; SMN2KMT2ATSHRKDM4EFAAH
SCHEMBL14469449 0.88 KMT2A (0.53) SMN1; SMN2TP53KMT2AMEN1TSHR
SCHEMBL14469562 0.87 L3MBTL1 (0.47) SMN1; SMN2TP53KMT2AMEN1TSHR
SCHEMBL14469452 0.87 SMN1; SMN2 (0.47) SMN1; SMN2TP53KMT2AMEN1TSHR
SCHEMBL14469568 0.86 S1PR5 (0.52) SMN1; SMN2TP53KMT2AMEN1ALDH1A1
SCHEMBL14469553 0.85 KDM4E (0.61) SMN1; SMN2TP53KMT2AMEN1TSHR
SCHEMBL14469470 0.85 FAAH (0.52) SMN1; SMN2KDM4EFAAHALDH1A1HTT

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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