SCHEMBL9345138

SCHEMBL9345138

Clc1cccc2c1CC(N1CCNCC1)CC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.55
OPRD1 P41143 5/20 0.55
OPRK1 P41145 5/20 0.55
OPRL1 P41146 5/20 0.55
HTR2C P28335 3/20 0.50
HTR2B P41595 2/20 0.50
PNMT P11086 1/20 0.46
HTR7 P34969 1/20 0.46
HTR2A P28223 2/20 0.45
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
NOTUM Q6P988 1/20 0.43
HTR1D P28221 2/20 0.42
ADRB1 P08588 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL9345932 0.95 HTR2C (0.55) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL13533345 0.83 HTR7 (0.66) HTR2CHTR2BHTR7HTR2ACYP2D6
SCHEMBL13533347 0.83 HTR7 (0.66) HTR2CHTR2BHTR7HTR2ACYP2D6
Hydrochloric Acid SCHEMBL9341244 0.80 HTR2C (0.50) HTR2CHTR2BHTR2A
SCHEMBL9342090 0.80 HTR1A (0.47) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL6620989 0.79 GRIN2B (0.62) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL14591341 0.75 HTR7 (0.47) OPRM1OPRD1OPRK1OPRL1HTR2C
Hydrochloric Acid SCHEMBL9345051 0.75 SIGMAR1 (0.39) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL9345993 0.74 GRIN2B (0.56) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL9341225 0.73 HTR2C (0.51) HTR2CHTR2BHTR7HTR1D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0343830-B1 Ring-substituted 2-amino-1,2,3,4-tetrahydronaphthalenes LILLY CO ELI (US) 1994-07-13 EP disclosed
US-5026707-A Antiserotonine agents ELI LILLY AND COMPANY (US) 1991-06-25 US disclosed
EP-0343830-A2 Ring-substituted 2-amino-1,2,3,4-tetrahydronaphthalenes ELI LILLY AND COMPANY (US) 1989-11-29 EP disclosed