SCHEMBL8535560

SCHEMBL8535560

COc1cccc2c1CCC(CCC(=O)O)C2=O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.62
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
HTR2C P28335 5/20 0.48
ACHE P22303 1/20 0.48
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41

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
SCHEMBL8531854 0.93 CYP19A1 (0.60) CYP19A1KDM4ELMNAPOLBMAPT
SCHEMBL8536549 0.92 CYP19A1 (0.58) CYP19A1KDM4ELMNAPOLBMAPT
SCHEMBL7166102 0.91 CYP19A1 (0.57) CYP19A1KDM4ELMNAPOLBMAPT
SCHEMBL9448254 0.86 CYP19A1 (0.55) CYP19A1KDM4ELMNAPOLBMAPT
SCHEMBL8531749 0.83 CYP19A1 (0.52) CYP19A1KDM4ELMNAPOLBMAPT
SCHEMBL9343214 0.82 CYP19A1 (0.61) CYP19A1KDM4ELMNAPOLBMAPT
SCHEMBL7226512 0.82 KDM4E (0.53) CYP19A1KDM4ELMNAPOLBMAPT
SCHEMBL15700133 0.81 CYP19A1 (0.67) CYP19A1KDM4ELMNAPOLBMAPT
SCHEMBL8673224 0.81 CYP19A1 (0.60) CYP19A1KDM4ELMNAPOLBMAPT
SCHEMBL8673226 0.81 CYP19A1 (0.60) CYP19A1KDM4ELMNAPOLBMAPT

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