SCHEMBL8560436

SCHEMBL8560436

C=CC[C@H]1CCCC[C@]1(c1ccco1)N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.40
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
CHRM1 P11229 1/20 0.33
SIGMAR1 Q99720 3/20 0.32
SRC P12931 1/20 0.30

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
SCHEMBL8520711 1.00 PRCP (0.40) PRCPGAAMAPTHPGDMAPK1
SCHEMBL8413432 0.77 PRCP (0.45) PRCPCHRM1SIGMAR1
SCHEMBL8410312 0.77 PRCP (0.45) PRCPCHRM1SIGMAR1
SCHEMBL8410313 0.77 PRCP (0.45) PRCPCHRM1SIGMAR1
SCHEMBL8558759 0.76 PRCP (0.49) PRCPGAAMAPTHPGDMAPK1
SCHEMBL8205125 0.76 PRCP (0.49) PRCPGAAMAPTHPGDMAPK1
SCHEMBL8205657 0.74 PRCP (0.37) PRCPGAAMAPTHPGDMAPK1
SCHEMBL7703496 0.67 SIGMAR1 (0.53) PRCPSIGMAR1
SCHEMBL28764487 0.63 SIGMAR1 (0.52) PRCPSIGMAR1
SCHEMBL7701926 0.60 SIGMAR1 (0.40) PRCPCHRM1SIGMAR1

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-5972952-A THERAPY FOR STROKE, NERVOUS SYSTEM DISORDERS, ALZHEIMER'SDISEASE LE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1999-10-26 US disclosed