SCHEMBL6738465

SCHEMBL6738465

C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@@H]1CCCCN1c1nc2cc(F)c(F)cc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL6741469 0.90 L3MBTL1 (0.43) ALDH1A1L3MBTL1KMT2AMEN1ALOX15
SCHEMBL6738568 0.90 ALDH1A1 (0.45) ALDH1A1L3MBTL1GABRPGABRDGABRA1
SCHEMBL7460294 0.87 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2AMEN1ALOX15
SCHEMBL7460302 0.87 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2AMEN1ALOX15
SCHEMBL6738923 0.87 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2AMEN1ALOX15
SCHEMBL6738927 0.87 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2AMEN1ALOX15
SCHEMBL6740425 0.85 ALDH1A1 (0.58) ALDH1A1L3MBTL1KMT2AMEN1CYP3A4
SCHEMBL6742894 0.83 ALDH1A1 (0.43) ALDH1A1L3MBTL1GABRPGABRDGABRA1
SCHEMBL6734143 0.83 ALDH1A1 (0.43) ALDH1A1L3MBTL1GABRPGABRDGABRA1
SCHEMBL6733296 0.83 ALDH1A1 (0.43) ALDH1A1L3MBTL1GABRPGABRDGABRA1

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
US-6686357-B1 BENZIMIDAZOLO-PIPERIDINE COMPOUND PFIZER, INC. 2004-02-03 US disclosed