SCHEMBL9683783

SCHEMBL9683783

CCc1cc(C(C)(C)C)cc(C(C)C)c1N

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
CYP2C19 P33261 1/20 0.33

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
SCHEMBL8845408 0.82 POLB (0.50) POLB
SCHEMBL9684130 0.82 POLB (0.50) POLBHTTATMCYP2C19
SCHEMBL26858087 0.78 CYP1A2 (0.46) POLBHTTCYP2C19
SCHEMBL9684264 0.77 POLB (0.61) POLB
SCHEMBL5161230 0.77 HTT (0.38) POLBHTT
SCHEMBL9683683 0.77 POLB (0.61) POLBHTTCYP2C19
SCHEMBL15002989 0.76 TAAR1 (0.37)
SCHEMBL21546205 0.76 FABP4 (0.46) POLBHTT
SCHEMBL20706615 0.76 HTT (0.37) POLBHTT
SCHEMBL15957594 0.76 POLB (0.43) POLBCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0492473-A1 Process for the preparation of 4-substituted 2,6-dialkylanilines LONZA AG (CH) 1992-07-01 EP disclosed