SCHEMBL7417034

SCHEMBL7417034

O=C(CCCCBr)c1ccc(F)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.77
RAB9A P51151 2/20 0.77
HTR7 P34969 1/20 0.67
PTPN1 P18031 1/20 0.64
L3MBTL1 Q9Y468 4/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49

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
SCHEMBL7392018 0.98 NPC1 (0.74) NPC1RAB9AHTR7PTPN1L3MBTL1
SCHEMBL7005013 0.98 NPC1 (0.74) NPC1RAB9AHTR7PTPN1L3MBTL1
SCHEMBL11282894 0.96 NPC1 (0.77) NPC1RAB9AHTR7PTPN1L3MBTL1
SCHEMBL9680520 0.92 NPC1 (0.91) NPC1RAB9AHTR7PTPN1L3MBTL1
SCHEMBL9680984 0.90 NPC1 (0.87) NPC1RAB9AHTR7PTPN1L3MBTL1
SCHEMBL1040636 0.90 NPC1 (0.87) NPC1RAB9AHTR7PTPN1L3MBTL1
SCHEMBL9990825 0.90 PTPN1 (0.72) NPC1RAB9AHTR7PTPN1HTT
SCHEMBL3424496 0.90 NPC1 (0.87) NPC1RAB9AHTR7PTPN1L3MBTL1
SCHEMBL7365742 0.88 NPC1 (0.61) NPC1RAB9AHTR7PTPN1L3MBTL1
SCHEMBL7370268 0.88 NPC1 (0.61) NPC1RAB9AHTR7PTPN1L3MBTL1

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
US-5250537-A Treating psychoses SCIOS NOVA INC. (US) 1993-10-05 US disclosed