SCHEMBL6239945

SCHEMBL6239945

OCC(c1ncc[nH]1)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 14/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
FPR2 P25090 2/20 0.40
PDE2A O00408 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 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
SCHEMBL6239951 0.88 MRGPRX4 (0.41) F2RL1MRGPRX4FPR2PDE2A
SCHEMBL6192150 0.86 FPR2 (0.41) F2RL1MRGPRX4FPR2
SCHEMBL6956313 0.80 F2RL1 (0.50) F2RL1
SCHEMBL6194278 0.75 NPC1 (0.40) F2RL1FPR2
SCHEMBL6193871 0.73 FPR2 (0.38) F2RL1MRGPRX4FPR2
SCHEMBL6955109 0.72 F2RL1 (0.51) F2RL1
SCHEMBL6193535 0.71 FPR2 (0.38) F2RL1MRGPRX4FPR2
SCHEMBL29256553 0.70 PDE2A (0.51) PDE2AJAK2JAK1TYK2
SCHEMBL29256552 0.70 PDE2A (0.51) PDE2AJAK2JAK1TYK2
SCHEMBL6193920 0.69 MEN1 (0.39) F2RL1FPR2

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-1450901-A4 (1-PHENYL-2-HETEROARYL)ETHYL-GUANIDINE COMPOUNDS AS INHIBITORS OF MITOCHONDRIAL F1F0 ATP HYDROLASE BRISTOL MYERS SQUIBB CO (US) 2005-05-25 EP disclosed
EP-1450901-A2 (1-PHENYL-2-HETEROARYL)ETHYL-GUANIDINE COMPOUNDS AS INHIBITORS OF MITOCHONDRIAL F1F0 ATP HYDROLASE Bristol-Myers Squibb Company (US) 2004-09-01 EP disclosed
WO-2003050261-A2 (1-PHENYL-2-HETEROARYL)ETHYL-GUANIDINE COMPOUNDS AS INHIBITORS OF MITOCHONDRIAL F1F0 ATP HYDROLASE BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 WO disclosed