SCHEMBL8665513

SCHEMBL8665513

CCCCc1c2c(cc(C(=O)c3ccccc3-c3ccccn3)c1N1CCCC1N)-c1ccccc1C2C(=O)NCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 10/20 0.33
▸ HCRTR2 O43614 6/20 0.33
▸ POLB P06746 1/20 0.31

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
SCHEMBL8668056 0.91 KDM2B (0.34) POLB
SCHEMBL8651738 0.90 POLB (0.31) POLB
SCHEMBL8655496 0.89 POLB (0.33) HCRTR1HCRTR2POLB
SCHEMBL8652846 0.89 NPY2R (0.33) HCRTR1HCRTR2POLB
SCHEMBL8343961 0.87 HCRTR2 (0.34) HCRTR2POLB
SCHEMBL8652565 0.86 FFAR4 (0.32) —
SCHEMBL8649950 0.86 HCRTR2 (0.34) HCRTR1HCRTR2
SCHEMBL8649547 0.86 SCN9A (0.31) POLB
SCHEMBL8655156 0.86 HCRTR2 (0.34) HCRTR1HCRTR2POLB
SCHEMBL8655163 0.85 POLB (0.32) POLB

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
US-5827875-A PYRROLIDINE DERIVATIVES; ANTIATHEROSCLEROSIS AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-10-27 — — US claimed
Send feedback