SCHEMBL5029182

SCHEMBL5029182

CC(C)[C@@H]1CC(NC(=O)O)CC[C@@H]1NC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.31
BTK Q06187 1/20 0.31
EPHX1 P07099 2/20 0.30
PKM P14618 1/20 0.30
KDM1A O60341 1/20 0.30

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
SCHEMBL5029319 0.87
SCHEMBL1811527 0.77 BTK (0.37) BTKEPHX1PKMKDM1A
SCHEMBL5029532 0.75 CCR2 (0.34)
SCHEMBL5029481 0.74 EPHX1 (0.34) TRPM8BTKEPHX1PKMKDM1A
SCHEMBL5029474 0.74 EPHX1 (0.34) TRPM8BTKEPHX1PKMKDM1A
SCHEMBL1700015 0.73 EPHX1 (0.40) EPHX1PKM
SCHEMBL5033649 0.72 CCR2 (0.34)
SCHEMBL20549583 0.70 BTK (0.45) BTKEPHX1
SCHEMBL1192724 0.70 EPHX1 (0.33) BTKEPHX1KDM1A
SCHEMBL15970550 0.68 POLB (0.41) BTKEPHX1PKM

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-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed