SCHEMBL10859613

SCHEMBL10859613

COc1ccc2c(c1)C(=O)C(n1ccnc1)CC2

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.54
ACHE P22303 1/20 0.45
PTPN1 P18031 1/20 0.43
CYP11B2 P19099 3/20 0.43
CYP11B1 P15538 2/20 0.43
CYP17A1 P05093 1/20 0.42
METAP1 P53582 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
SCHEMBL10855526 0.91 CYP19A1 (0.54) CYP19A1PTPN1CYP11B2CYP11B1CYP17A1
SCHEMBL10858721 0.81 CYP17A1 (0.44) CYP19A1CYP11B2CYP11B1CYP17A1
SCHEMBL10855213 0.81 CYP17A1 (0.42) CYP19A1ACHECYP17A1
SCHEMBL10856640 0.81 CYP19A1 (0.52) CYP19A1ACHEPTPN1CYP11B2CYP11B1
SCHEMBL10859254 0.79 CYP17A1 (0.42) CYP19A1ACHECYP11B2CYP11B1CYP17A1
SCHEMBL10861115 0.79 CYP17A1 (0.53) CYP19A1CYP11B2CYP11B1CYP17A1
SCHEMBL10859493 0.79 CYP17A1 (0.42) CYP19A1CYP17A1
SCHEMBL9790099 0.78 CYP19A1 (0.50) CYP19A1ACHECYP17A1
SCHEMBL10856062 0.78 DDB1 (0.44) CYP17A1
SCHEMBL10893708 0.78 CYP19A1 (0.54) CYP19A1PTPN1CYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4492707-A ANTILIPEMIC AGENT FARMITALIA CARLO ERBA S.P.A. (IT) 1985-01-08 US claimed
US-4602022-A VASODILATORS, ANTIAGGREGANT AGENTS, ANTIINFLAMMATORY AND HYPOTENSIVE AGENTS FARMITALIA CARLO ERBA, S.P.A. (IT) 1986-07-22 US disclosed
US-4588738-A N-imidazolyl derivatives of 1,2,3,4-tetrahydro-naphthalene and indan as platelet aggregation inhibitors FARMITALIA CARLO ERBA S.P.A. (IT) 1986-05-13 US disclosed
US-4510149-A VASODILATORS, HYPOTENSIVE AGENTS, ANTIARTHRITIC AGENTS FARMITALIA CARLO ERBA S.P.A. (IT) 1985-04-09 US disclosed
US-4492707-A ANTILIPEMIC AGENT FARMITALIA CARLO ERBA S.P.A. (IT) 1985-01-08 US disclosed