SCHEMBL11536775

SCHEMBL11536775

CC(C)N(CCC(C#N)(CCCN(C)C)c1ccccc1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 3/20 0.50
SIGMAR1 Q99720 3/20 0.50
OPRM1 P35372 3/20 0.49
DRD3 P35462 3/20 0.49
CYP2D6 P10635 2/20 0.49
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
CYP3A4 P08684 2/20 0.43
LMNA P02545 1/20 0.43
BCL2 P10415 1/20 0.41
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
PGR P06401 1/20 0.39
THRB P10828 1/20 0.39
ADRB3 P13945 1/20 0.39
OPRK1 P41145 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
KCNH2 Q12809 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL11537087 0.93 EBP (0.50) EBPSIGMAR1OPRM1DRD3CYP2D6
SCHEMBL11530730 0.93 CYP2D6 (0.56) EBPSIGMAR1OPRM1DRD3CYP2D6
SCHEMBL11532046 0.90 CYP2D6 (0.46) EBPSIGMAR1OPRM1DRD3CYP2D6
SCHEMBL11470978 0.85 OPRM1 (0.48) EBPSIGMAR1OPRM1DRD3CYP2D6
SCHEMBL11539556 0.84 SIGMAR1 (0.47) EBPSIGMAR1OPRM1DRD3CYP2D6
SCHEMBL11646369 0.83 SIGMAR1 (0.64) EBPSIGMAR1OPRM1DRD3CYP2D6
SCHEMBL11532266 0.82 SIGMAR1 (0.43) EBPSIGMAR1OPRM1DRD3CYP2D6
SCHEMBL11472302 0.82 EBP (0.39) EBPSIGMAR1OPRM1DRD3CYP2D6
SCHEMBL11646224 0.81 SIGMAR1 (0.55) EBPSIGMAR1OPRM1DRD3CYP2D6
SCHEMBL11535404 0.80 CYP2D6 (0.40) EBPSIGMAR1OPRM1DRD3CYP2D6

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-4153797-A α-Aryl-α, α-bis[ω- (disubstituted amino)alkyl]acetamides and related compounds G. D. SEARLE & CO. (US) 1979-05-08 US disclosed
US-4107205-A α-Aryl-α,α-bis[ω-(disubstituted amino)alkyl]acetamides and related compounds G. D. SEARLE & CO. (US) 1978-08-15 US disclosed