SCHEMBL6956313

SCHEMBL6956313

OCC(c1ncc[nH]1)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 9/20 0.50
ADRA2A P08913 3/20 0.40
ADRA2C P18825 3/20 0.40
ADRA2B P18089 2/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MTOR P42345 1/20 0.39
ADK P55263 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
CYP2C19 P33261 2/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL6244774 0.85 F2RL1 (0.47) F2RL1ADRA2AADRA2CADRA2BKMT2A
SCHEMBL6194278 0.82 NPC1 (0.40) F2RL1ADRA2CKMT2A
SCHEMBL6239945 0.80 F2RL1 (0.41) F2RL1
SCHEMBL6952503 0.79 MTOR (0.44) F2RL1ADRA2AADRA2CADRA2BTAAR1
SCHEMBL956496 0.76 ADRA2A (0.61) F2RL1ADRA2AADRA2CADRA2BKMT2A
SCHEMBL3529779 0.74 F2RL1 (0.45) F2RL1ADRA2AADRA2CADRA2B
SCHEMBL6955109 0.74 F2RL1 (0.51) F2RL1
SCHEMBL8112831 0.72 F2RL1 (0.37) F2RL1
SCHEMBL6953526 0.70 CFTR (0.46) ADRA2AADRA2CADRA2BL3MBTL1
SCHEMBL6954460 0.70 CFTR (0.46) ADRA2AADRA2CADRA2BL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1276725-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2003-01-22 EP disclosed
WO-2001079180-A2 5-SUBSTITUTED TETRALONES AS INHIBITORS OF RAS FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 2001-10-25 WO disclosed