SCHEMBL14040795

SCHEMBL14040795

O=C(CC(c1ccccc1)c1ccccc1)NCCCCc1c[nH]cn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.47
HPGD P15428 5/20 0.47
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 2/20 0.42
ALPL P05186 1/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL7972671 0.96 TACR1 (0.51) TACR1HPGDKMT2AALDH1A1ALOX15
SCHEMBL7975015 0.86 HPGD (0.56) TACR1HPGDKMT2AALDH1A1HTT
SCHEMBL7975013 0.86 HPGD (0.56) TACR1HPGDKMT2AALDH1A1HTT
SCHEMBL7975009 0.86 HPGD (0.56) TACR1HPGDKMT2AALDH1A1HTT
SCHEMBL14040973 0.84 BLM (0.43) LMNANPSR1
SCHEMBL14040951 0.81 THRB (0.39) TACR1HPGDKMT2AALDH1A1LMNA
SCHEMBL7774834 0.81 HPGD (0.41) TACR1HPGDKMT2AALDH1A1LMNA
SCHEMBL17887874 0.78 LMNA (0.48) TACR1HPGDKMT2AALDH1A1LMNA
SCHEMBL7974337 0.78 L3MBTL1 (0.58) HPGDKMT2AALOX15LMNAMEN1
SCHEMBL4385039 0.77 TRPV1 (0.36) HPGDKMT2ASMN1; SMN2TRPV1

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
EP-1318983-B1 SUBSTITUTED IMIDAZOLES AS HISTAMINE H1 AND H3 AGONISTS OR ANTAGONISTS SCHERING CORP (US) 2008-10-22 EP disclosed