SCHEMBL8535491

SCHEMBL8535491

Cc1cc2c(cc1C)C(=O)C(CC#N)CC2

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
CYP26A1 O43174 6/20 0.39
CYP24A1 Q07973 3/20 0.39
CYP19A1 P11511 4/20 0.34
CYP27A1 Q02318 1/20 0.34

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
SCHEMBL11239357 0.81 ACHE (0.47)
SCHEMBL11723357 0.77 THRA (0.52)
SCHEMBL11237837 0.76 CYP19A1 (0.61) CYP26A1CYP24A1CYP19A1CYP27A1
SCHEMBL10341545 0.76 CYP24A1 (0.61) CYP26A1CYP24A1CYP19A1CYP27A1
SCHEMBL8534684 0.76 DGAT1 (0.50) CYP26A1CYP24A1
Hydrochloric Acid SCHEMBL8531523 0.76 METAP1 (0.54)
Iodide SCHEMBL8534944 0.76 CYP26A1 (0.39) CYP26A1CYP24A1CYP19A1CYP27A1
SCHEMBL11247401 0.75 CYP19A1 (0.55) CYP19A1
SCHEMBL8531874 0.71 DGAT1 (0.36) CYP26A1CYP24A1CYP19A1
SCHEMBL15096854 0.70 ELANE (0.36) IMPDH2IMPDH1CYP26A1CYP24A1

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-5847159-A 1- ω-(3,4-dihydro-2-naphthalenyl)alkyl!-cyclic amine derivatives, process for preparing the same, and pharmaceutical composition containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-12-08 US disclosed
EP-0825180-A1 1-OMEGA-(3,4-DIHYDRO-2-NAPHTHALENYL)ALKYL] CYCLIC AMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-02-25 EP disclosed