SCHEMBL7978950

SCHEMBL7978950

CC(=O)N(c1cccc(C(F)(F)F)c1)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.47
TLR7 Q9NYK1 2/20 0.44
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
PTGIR P43119 1/20 0.39
CTSD P07339 2/20 0.39
BACE1 P56817 2/20 0.39
BACE2 Q9Y5Z0 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CETP P11597 4/20 0.39
BRAF P15056 1/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
CES2 O00748 1/20 0.39
MEN1 O00255 1/20 0.38
GMNN O75496 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL7985479 0.85 POLQ (0.47) POLQTLR7MAPTHTTPOLB
SCHEMBL26186399 0.84 TSHR (0.42) TLR7RXRARXRBRXRGMAPT
SCHEMBL30285546 0.84 TSHR (0.42) TLR7RXRARXRBRXRGMAPT
SCHEMBL26186673 0.83 MAPT (0.39) TLR7RXRARXRBRXRGMAPT
SCHEMBL7978952 0.82 ALDH1A1 (0.45) PTGIRMAPTHTTSMN1; SMN2LMNA
SCHEMBL24173416 0.82 P2RX4 (0.41) LMNAPOLBMEN1GMNNALDH1A1
SCHEMBL7985481 0.81 POLQ (0.41) POLQBACE1MAPTHTTSMN1; SMN2
SCHEMBL7985644 0.81 TRPM8 (0.42) MAPTHTTSMN1; SMN2LMNAMEN1
SCHEMBL29005458 0.80 MPO (0.40) MAPTSMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL19512684 0.80 NPSR1 (0.47) PTGIRMAPTHTTLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US disclosed
CN-1252068-A 3-piperidyl-4-oxoquinazoline derivatives and pharmaceutical compositions containing the same JAPAN TOBACCO INC (JP) 2000-05-03 CN disclosed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP disclosed