SCHEMBL14469449

SCHEMBL14469449

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ KDM4E B2RXH2 5/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ FAAH O00519 1/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ S1PR5 Q9H228 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TSHR P16473 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
SCHEMBL14469568 0.93 S1PR5 (0.52) KMT2ASMN1; SMN2TP53ALDH1A1L3MBTL1
SCHEMBL14469452 0.90 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2TP53KDM4EL3MBTL1
SCHEMBL14469456 0.88 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2TP53KDM4EALDH1A1
SCHEMBL14469562 0.87 L3MBTL1 (0.47) KMT2ASMN1; SMN2TP53KDM4EALDH1A1
SCHEMBL14469477 0.86 KMT2A (0.58) KMT2ASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL14469549 0.86 KDM4E (0.50) KMT2AKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL14469469 0.85 KDM4E (0.49) KMT2ASMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL14469190 0.85 CYP3A4 (0.48) KMT2AMEN1TSHR
SCHEMBL14469555 0.84 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2TP53KDM4EALDH1A1
SCHEMBL14469460 0.84 KMT2A (0.51) KMT2ASMN1; SMN2TP53KDM4EALDH1A1

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
Send feedback