SCHEMBL7558461

SCHEMBL7558461

[CH2]C(CC)CCC(=O)C(C)CC

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32

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
SCHEMBL30886957 0.81 CYP1A2 (0.35) CYP1A2
SCHEMBL108022 0.79 CA1 (0.48) CYP1A2
SCHEMBL28655640 0.77
SCHEMBL28312761 0.76 CYP1A2 (0.38) CYP1A2
SCHEMBL9938219 0.75
SCHEMBL11378383 0.75
SCHEMBL12757329 0.75 ALDH1A1 (0.50) CYP1A2
SCHEMBL10904790 0.74 TSHR (0.46) CYP1A2
SCHEMBL14929028 0.74
SCHEMBL105901 0.74

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
EP-1242421-A1 4-[ARYL(8-AZABICYCLO[3.2.1] OCTAN-3-YL)] AMINOBENZOIC ACID DERIVATIVES Ortho-McNeil Pharmaceutical, Inc. (US) 2002-09-25 EP disclosed
WO-2001046191-A1 4-[ARYL(8-AZABICYCLO[3.2.1]OCTAN-3-YL)]AMINOBENZOIC ACID DERIVATIVES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-06-28 WO disclosed