SCHEMBL25008312

SCHEMBL25008312

CC(C)(C)CC(C#N)(c1ccccc1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
CYP2D6 P10635 3/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
OPRM1 P35372 2/20 0.40
DRD3 P35462 2/20 0.40
CYP3A4 P08684 2/20 0.38
TAAR1 Q96RJ0 1/20 0.36
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2C19 P33261 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
HIF1A Q16665 1/20 0.33
KCNA3 P22001 2/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL6284814 0.75 ATM (0.46) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL25776164 0.70 CYP2D6 (0.38) ATMCYP2D6DRD2DRD4OPRM1
Water SCHEMBL28217447 0.70 SHBG (0.58) CYP2D6DRD2OPRM1DRD3CYP3A4
SCHEMBL7030622 0.69 MAPK1 (0.46) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL4667150 0.69 ALDH1A1 (0.43) CYP3A4TAAR1MAPK1CYP2C19HIF1A
SCHEMBL26255196 0.68 TAAR1 (0.46) CYP3A4TAAR1MAPK1CYP2C19HIF1A
SCHEMBL42933 0.68 SHBG (0.60) CYP2D6DRD2OPRM1DRD3CYP3A4
SCHEMBL1021158 0.68 GRM1 (0.49) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL5875525 0.68 MAPK1 (0.44) ATMCYP2D6DRD2DRD4OPRM1
SCHEMBL230672 0.68 MAPK1 (0.44) ATMCYP2D6DRD2DRD4OPRM1

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-4129974-A1 ACTINIC-RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC-RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, METHOD FOR FORMING PATTERN, AND METHOD FOR PRODUCING ELECTRONIC DEVICE FUJIFILM Corporation (JP) 2023-02-08 EP disclosed