SCHEMBL9957254

SCHEMBL9957254

Cc1ccc(-c2ccccn2)c(C=O)c1N1C[C@H]2CCN(c3nc4cc(F)ccc4o3)C[C@H]21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.40
HCRTR2 O43614 16/20 0.40
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
NAAA Q02083 1/20 0.35

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
SCHEMBL9957258 0.78 HCRTR1 (0.51) HCRTR1HCRTR2NAAA
SCHEMBL9957805 0.77 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL9956139 0.75 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL9956933 0.70 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL9957419 0.70 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL9957700 0.68 HCRTR2 (0.43) HCRTR1HCRTR2
SCHEMBL9954612 0.67 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL9957884 0.67 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL9954320 0.66 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL9954317 0.66 HCRTR1 (0.63) HCRTR1HCRTR2

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
WO-2012085852-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed