SCHEMBL14101709

SCHEMBL14101709

COc1cc(OC)cc(-c2nn(-c3cc(N4CCCC4)ccc3C(F)(F)F)c(=O)c3c2CCN3CC(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.39
F2 P00734 3/20 0.39
SLC16A3 O15427 2/20 0.35
SLC16A1 P53985 2/20 0.35
CCR1 P32246 4/20 0.34
MAPT P10636 1/20 0.34
S1PR1 P21453 1/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
CXCR3 P49682 1/20 0.32
AKR1B10 O60218 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32

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
SCHEMBL14101712 0.94 F10 (0.39) F10F2SLC16A3SLC16A1CCR1
SCHEMBL4722372 0.93 F10 (0.38) F10F2SLC16A3SLC16A1CCR1
SCHEMBL4724288 0.91 F10 (0.40) F10F2SLC16A3SLC16A1MAPT
SCHEMBL14101703 0.90 F10 (0.36) F10F2SLC16A3SLC16A1MAPT
SCHEMBL14101737 0.90 CCR1 (0.39) F10F2CCR1MAPT
SCHEMBL4721921 0.90 CXCR3 (0.33) F10F2CCR1MAPTALPL
SCHEMBL4720618 0.90 F10 (0.36) F10F2S1PR1CXCR3
SCHEMBL4720620 0.90 F10 (0.36) F10F2S1PR1CXCR3
SCHEMBL4720926 0.89 WDR5 (0.33) F10SLC16A3SLC16A1MAPTALPL
SCHEMBL4720196 0.87 TDP1 (0.38) F10F2CCR1MAPTS1PR1

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed