SCHEMBL8322832

SCHEMBL8322832

[CH2]N1CC=C(c2ccc(F)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
SIGMAR1 Q99720 6/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL3986140 0.80 ALDH1A1 (0.54) SIGMAR1ALDH1A1NPC1ALOX15RAB9A
SCHEMBL3905278 0.77 MAPK1 (0.49) LMNATHRBSIGMAR1ALDH1A1MAPT
SCHEMBL155267 0.77 QDPR (0.68) LMNATHRB
SCHEMBL5546722 0.77 SIGMAR1 (0.47) SIGMAR1ALDH1A1MAPTMAPK1HPGD
SCHEMBL5544864 0.76 L3MBTL1 (0.39) ALDH1A1
SCHEMBL4674057 0.76 ALDH1A1 (0.49) LMNATHRBSIGMAR1ALDH1A1MAPT
SCHEMBL8010714 0.73 SIGMAR1 (0.72) SIGMAR1MAPK1MEN1KMT2ANPSR1
SCHEMBL15449630 0.73 MEN1 (0.51) LMNATHRBSIGMAR1ALDH1A1MAPT
SCHEMBL7910148 0.73 NPSR1 (0.60) LMNATHRBSIGMAR1MAPK1ALOX15
SCHEMBL7978448 0.73 SIGMAR1 (0.61) SIGMAR1MAPK1MEN1KMT2ANPSR1

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-5945421-A TREATING PSYCHOSIS AND SCHIZOPHRENIA WARNER-LAMBERT COMPANY (US) 1999-08-31 US disclosed