SCHEMBL6503840

SCHEMBL6503840

Nc1c(Cl)cccc1CCO

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.44
PNMT P11086 2/20 0.43
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
IDO1 P14902 5/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
AOC3 Q16853 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
SCHEMBL1694942 0.83 PNMT (0.46) TAAR1PNMTHTR3EHTR3BHTR3A
SCHEMBL3786637 0.79 TAAR1 (0.44) TAAR1PNMTIDO1SLC6A2SLC6A4
SCHEMBL29924786 0.78 TAAR1 (0.63) TAAR1PNMTIDO1TSHR
SCHEMBL992770 0.78 CD44 (0.39) TAAR1IDO1TSHRSLC6A2SLC6A4
SCHEMBL2963562 0.78 TAAR1 (0.63) TAAR1PNMTIDO1TSHR
SCHEMBL30645118 0.78 CD44 (0.39) TAAR1IDO1TSHRSLC6A2SLC6A4
SCHEMBL10624720 0.78 TAAR1 (0.45) TAAR1IDO1TSHR
SCHEMBL3675893 0.78 PNMT (0.50) TAAR1PNMTIDO1TSHR
SCHEMBL29538519 0.78 TAAR1 (0.60) TAAR1PNMTHTR3EHTR3BHTR3A
SCHEMBL624730 0.78 TAAR1 (0.60) TAAR1PNMTHTR3EHTR3BHTR3A

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-2005082885-A1 IMIDAZOLE BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-09 WO disclosed