SCHEMBL9345993

SCHEMBL9345993

c1ccc2c(c1)CCC(N1CCCNCC1)C2

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.56
HTR2C P28335 5/20 0.54
HTR2B P41595 4/20 0.54
OPRL1 P41146 4/20 0.48
OPRM1 P35372 2/20 0.48
OPRK1 P41145 2/20 0.48
HTR2A P28223 2/20 0.47
OPRD1 P41143 1/20 0.46
TSHR P16473 1/20 0.46
HTR1A P08908 1/20 0.46
HTR7 P34969 1/20 0.46
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD2 P14416 1/20 0.43

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
SCHEMBL6620989 0.94 GRIN2B (0.62) GRIN2BHTR2CHTR2BOPRL1OPRM1
SCHEMBL10153496 0.89 HTR2C (0.49) GRIN2BHTR2CHTR2BOPRL1OPRM1
SCHEMBL8673995 0.85 GRIN2B (0.68) GRIN2BOPRL1OPRM1OPRK1HTR2A
SCHEMBL9947176 0.85 GRIN2B (0.68) GRIN2BOPRL1OPRM1OPRK1HTR2A
SCHEMBL9727205 0.85 GRIN2B (0.68) GRIN2BOPRL1OPRM1OPRK1HTR2A
SCHEMBL9018525 0.84 GRIN2B (0.66) GRIN2BOPRL1OPRM1OPRK1HTR2A
SCHEMBL9947164 0.84 GRIN2B (0.66) GRIN2BOPRL1OPRM1OPRK1HTR2A
SCHEMBL9506641 0.84 GRIN2B (0.66) GRIN2BOPRL1OPRM1OPRK1HTR2A
SCHEMBL7436031 0.84 GRIN2B (0.66) GRIN2BOPRL1OPRM1OPRK1HTR2A
Hydrochloric Acid SCHEMBL7938970 0.82 GRIN2B (0.64) GRIN2BOPRL1OPRM1OPRK1HTR2A

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