SCHEMBL7814533

SCHEMBL7814533

CCC(C)Oc1ccc2n[c]n(C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
BRD4 O60885 1/20 0.34
BRPF1 P55201 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACACB O00763 2/20 0.32
SLC2A1 P11166 1/20 0.31
P2RX3 P56373 1/20 0.31
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTGDR Q13258 1/20 0.30
MAPT P10636 1/20 0.30
FGFR1 P11362 1/20 0.30
PDE2A O00408 1/20 0.30

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
SCHEMBL7811032 0.89 GPBAR1 (0.36) GPBAR1CYSLTR1BRD4BRPF1HDAC1
SCHEMBL7805417 0.85 BRD4 (0.47) BRD4BRPF1ACACBPOLBFGFR1
SCHEMBL7814303 0.79 MAPT (0.48) HSD17B10SMN1; SMN2MAPT
SCHEMBL7815130 0.78 TRIM24 (0.44) HSD17B10POLBSMN1; SMN2MAPT
SCHEMBL7815337 0.77 ALDH1A1 (0.43) HDAC1HDAC2HDAC8HSD17B10POLB
SCHEMBL7815098 0.77 FGFR1 (0.44) GPBAR1CYSLTR1SMN1; SMN2MAPTFGFR1
SCHEMBL7818553 0.73 FGFR1 (0.48) BRD4BRPF1GAAACACBPOLB
SCHEMBL7814927 0.73 HASPIN (0.35)
SCHEMBL19121950 0.68 MAPT (0.41) GPBAR1CYSLTR1HSD17B10ACACBSLC2A1
SCHEMBL122883 0.68 ACACB (0.45) GPBAR1CYSLTR1HDAC1HDAC2HDAC8

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
EP-0745600-B1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2001-10-24 EP disclosed
US-5886014-A TREATMENT AND/OR PROPHYLAXIS OF A VARIETY OF DISORDERS, INCLUDING HYPERLIPEMIA, HYPERGLYCEMIA, OBESITY, IMPAIRED GLUCOSE TOLERANCE (IGT), INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1999-03-23 US disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 EP disclosed