SCHEMBL7768082

SCHEMBL7768082

C=CCCNCC=CCOc1ccc(C(=O)C=CC=C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPN1 P18031 3/20 0.38
LSS P48449 1/20 0.38
KDM4E B2RXH2 3/20 0.36
HPGD P15428 1/20 0.36
MAOB P27338 2/20 0.34
GPR52 Q9Y2T5 1/20 0.34
S1PR1 P21453 2/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL7764135 0.84 MAOB (0.36) MAPTALDH1A1PTPN1HPGDMAOB
SCHEMBL7772085 0.84 KDM4E (0.34) NPC1RAB9AMAPTPOLBALDH1A1
SCHEMBL8044974 0.80 S1PR1 (0.40) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL7688081 0.78 LSS (0.62) PTPN1LSS
SCHEMBL7688083 0.78 LSS (0.62) PTPN1LSS
SCHEMBL9360246 0.78 LSS (0.46) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7767737 0.77 ADRB2 (0.38) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL8035630 0.77 LSS (0.60) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL8045307 0.77 LSS (0.46) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL8049755 0.77 LSS (0.46) NPC1RAB9AMAPTSMN1; SMN2POLB

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-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP claimed