SCHEMBL23979191

SCHEMBL23979191

CC1c2ccccc2C[C@H]1OCCF

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.42
PRCP P42785 1/20 0.35
OPRM1 P35372 3/20 0.35
KDM1A O60341 4/20 0.34
MAOB P27338 2/20 0.34
DRD2 P14416 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL26996981 0.85 HDAC3 (0.38) PRCPOPRM1KDM1ADRD2
SCHEMBL22808526 0.85 HDAC3 (0.38) PRCPOPRM1KDM1ADRD2
SCHEMBL26996830 0.85 PRCP (0.36) CRHR1PRCPOPRM1KDM1ADRD2
SCHEMBL23978833 0.83 CRHR1 (0.43) CRHR1KDM1AMAOBMAOA
SCHEMBL13948436 0.81 CRHR1 (0.40) CRHR1PRCPOPRM1DRD2
SCHEMBL1911351 0.81 CRHR1 (0.40) CRHR1PRCPOPRM1DRD2
SCHEMBL1911359 0.81 CRHR1 (0.40) CRHR1PRCPOPRM1DRD2
SCHEMBL16388970 0.81 CRHR1 (0.40) CRHR1PRCPOPRM1DRD2
SCHEMBL22872971 0.81 CHRNB2 (0.36) PRCPOPRM1KDM1ADRD2
SCHEMBL25287428 0.81 KDM1A (0.41) CRHR1KDM1A

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
WO-2021222614-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS Sanford Burnham Prebys Medical Discovery Institute (US) 2021-11-04 WO disclosed