SCHEMBL8706554

SCHEMBL8706554

CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ccccc1CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.45
F2RL3 Q96RI0 2/20 0.45
ALOX5AP P20292 3/20 0.43
FEN1 P39748 1/20 0.43
TSHR P16473 2/20 0.42
OPRD1 P41143 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
PRMT5 O14744 1/20 0.41
HCRTR2 O43614 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM1A O60341 1/20 0.40
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
FKBP1A P62942 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
SCHEMBL8706557 1.00 KLK7 (0.45) KLK7F2RL3ALOX5APFEN1TSHR
SCHEMBL8706834 0.89 CHEK2 (0.44) KLK7TSHRPRMT5HCRTR2MEN1
SCHEMBL8702684 0.89 TP53 (0.49) TSHR
SCHEMBL8702640 0.89 TP53 (0.49) TSHR
SCHEMBL8702646 0.89 TP53 (0.49) TSHR
SCHEMBL8708341 0.87 F2RL3 (0.42) F2RL3ALOX5APFEN1TSHR
SCHEMBL8703526 0.87 F2RL3 (0.42) F2RL3ALOX5APFEN1TSHR
SCHEMBL9413620 0.86 ALOX5AP (0.44) F2RL3ALOX5APFEN1TSHRMEN1
SCHEMBL9413621 0.86 ALOX5AP (0.44) F2RL3ALOX5APFEN1TSHRMEN1
SCHEMBL29039347 0.84 F2RL3 (0.45) F2RL3ALOX5APFEN1TSHROPRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0844000-A1 Use of alpha, omega-diarylalkane derivatives in the treatment and prevention of psychosis SANKYO COMPANY LIMITED (JP) 1998-05-27 EP disclosed
US-5556864-A TREATMENT OF CIRCULATORY DISEASES AND PSYCHOSIS SANKYO COMPANY, LIMITED (JP) 1996-09-17 US disclosed