SCHEMBL9762477

SCHEMBL9762477

C=CCCC[C@H]1CC[C@H](c2ccc(-c3ccccc3C#N)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.40
OXTR P30559 2/20 0.37
AVPR1A P37288 2/20 0.37
PTPN5 P54829 1/20 0.36
CHRM3 P20309 3/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CNR2 P34972 1/20 0.35
GBA1 P04062 1/20 0.33
UGCG Q16739 1/20 0.33
GBA2 Q9HCG7 1/20 0.33
SCD5 Q86SK9 1/20 0.32
CYP3A4 P08684 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL8754394 0.83 ESR2 (0.41) ESR2OXTRAVPR1APTPN5CNR2
SCHEMBL4820116 0.83 ESR2 (0.41) ESR2OXTRAVPR1APTPN5CNR2
SCHEMBL4578608 0.82 GRM2 (0.42) ESR2OXTRAVPR1APTPN5CNR2
SCHEMBL4578614 0.82 GRM2 (0.42) ESR2OXTRAVPR1APTPN5CNR2
SCHEMBL9458241 0.82 HRH3 (0.39) ESR2
SCHEMBL9458247 0.82 HRH3 (0.39) ESR2
SCHEMBL10772663 0.81 NPC1 (0.45) ESR2CHRM3CHRM2CHRM1CYP3A4
SCHEMBL9344750 0.80 ESR2 (0.39) ESR2CHRM3CHRM2CHRM1CYP3A4
SCHEMBL9055349 0.80 ESR2 (0.39) ESR2CHRM3CHRM2CHRM1CYP3A4
SCHEMBL10514871 0.76 ESR2 (0.38) ESR2CHRM3CHRM2CHRM1CYP3A4

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-0260450-B1 LIQUID CRYSTAL DISPLAY F. HOFFMANN-LA ROCHE AG (CH) 1991-12-04 EP disclosed