SCHEMBL4076007

SCHEMBL4076007

C[C@H]1CN[C@H](c2ccc(C(F)(F)F)cc2)c2ncccc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
HTR2B P41595 3/20 0.37
P2RX7 Q99572 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TRPV1 Q8NER1 3/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL4076003 1.00 HTR2A (0.37) HTR2AHTR2CHTR2BP2RX7L3MBTL1
SCHEMBL4140710 1.00 HTR2A (0.37) HTR2AHTR2CHTR2BP2RX7L3MBTL1
SCHEMBL4156479 1.00 HTR2A (0.37) HTR2AHTR2CHTR2BP2RX7L3MBTL1
SCHEMBL3062528 0.80 L3MBTL1 (0.44) HTR2AHTR2CHTR2BL3MBTL1CA1
SCHEMBL3956423 0.73 KDM1A (0.51) HTR2CL3MBTL1TRPM8KDM1A
SCHEMBL3956419 0.73 KDM1A (0.51) HTR2CL3MBTL1TRPM8KDM1A
SCHEMBL4064540 0.73 KDM1A (0.51) HTR2CL3MBTL1TRPM8KDM1A
SCHEMBL3956658 0.71 TRPM8 (0.41) HTR2AHTR2CHTR2BSLC40A1TRPM8
SCHEMBL3962688 0.70 L3MBTL1 (0.53) HTR2CL3MBTL1TRPM8KDM1A
SCHEMBL3957475 0.67 L3MBTL1 (0.49) HTR2AHTR2CHTR2BL3MBTL1TRPM8

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
WO-2009038812-A1 CONDENSED PIPERIDINE DERIVATIVES USEFUL AS VANILLOID RECEPTOR LIGANDS AMGEN INC. (US) 2009-03-26 WO disclosed