SCHEMBL8410313

SCHEMBL8410313

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.45
CHRM1 P11229 4/20 0.37
SIGMAR1 Q99720 4/20 0.36
SMARCA2 P51531 2/20 0.34
SMARCA4 P51532 2/20 0.34
PBRM1 Q86U86 2/20 0.34
NR1I2 O75469 1/20 0.34
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
CHRM5 P08912 3/20 0.33
CHRM3 P20309 3/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
CYP2B6 P20813 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GRIN1 Q05586 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRIN2A Q12879 1/20 0.33

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
SCHEMBL8413432 1.00 PRCP (0.45) PRCPCHRM1SIGMAR1SMARCA2SMARCA4
SCHEMBL8410312 1.00 PRCP (0.45) PRCPCHRM1SIGMAR1SMARCA2SMARCA4
SCHEMBL8520711 0.77 PRCP (0.40) PRCPCHRM1SIGMAR1
SCHEMBL8560436 0.77 PRCP (0.40) PRCPCHRM1SIGMAR1
SCHEMBL23595970 0.77 SIGMAR1 (0.56) PRCPSIGMAR1GRIN2DGRIN3BCYP2B6
SCHEMBL5171390 0.77 SIGMAR1 (0.56) PRCPSIGMAR1GRIN2DGRIN3BCYP2B6
SCHEMBL24462837 0.77 SIGMAR1 (0.56) PRCPSIGMAR1GRIN2DGRIN3BCYP2B6
Gacyclidine SCHEMBL4465879 0.73 SIGMAR1 (0.57) PRCPCHRM1SIGMAR1CHRM2CHRM4
Gacyclidine SCHEMBL7190367 0.73 SIGMAR1 (0.57) PRCPCHRM1SIGMAR1CHRM2CHRM4
Gacyclidine SCHEMBL3457748 0.73 SIGMAR1 (0.57) PRCPCHRM1SIGMAR1CHRM2CHRM4

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