SCHEMBL6239951

SCHEMBL6239951

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

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.41
F2RL1 P55085 13/20 0.39
FPR2 P25090 2/20 0.38
NPBWR1 P48145 2/20 0.35
PDE2A O00408 1/20 0.34

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
SCHEMBL6239945 0.88 F2RL1 (0.41) MRGPRX4F2RL1FPR2PDE2A
SCHEMBL6193871 0.86 FPR2 (0.38) MRGPRX4F2RL1FPR2NPBWR1
SCHEMBL6193535 0.84 FPR2 (0.38) MRGPRX4F2RL1FPR2
SCHEMBL6193920 0.83 MEN1 (0.39) F2RL1FPR2
SCHEMBL6244774 0.80 F2RL1 (0.47) F2RL1
SCHEMBL6195049 0.75 KMT2A (0.50) F2RL1
SCHEMBL6192150 0.73 FPR2 (0.41) MRGPRX4F2RL1FPR2
SCHEMBL6195748 0.72 F2RL1 (0.48) F2RL1
SCHEMBL697859 0.69 ADRA2A (0.44) F2RL1FPR2NPBWR1PDE2A
SCHEMBL953739 0.68 FPR2 (0.53) 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