SCHEMBL9588265

SCHEMBL9588265

CC(CCC(C)(C)c1ccncc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.59
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
TAAR1 Q96RJ0 3/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
EPHX2 P34913 1/20 0.37
TRPA1 O75762 1/20 0.37
GAA P10253 1/20 0.37
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
SCHEMBL19670976 0.79 TAAR1 (0.50) SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL21524663 0.79 SLC6A2 (0.58) RIPK1SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL6265732 0.77 SLC6A2 (0.42) RIPK1SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL19646330 0.75 CHRNB2 (0.35)
SCHEMBL25688646 0.74 CYP2D6 (0.38) RIPK1
SCHEMBL23661800 0.73 RIPK1 (0.52) RIPK1SLC6A2SLC6A4SLC6A3GAA
SCHEMBL9587809 0.73 SLC6A3 (0.47) RIPK1SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL9587633 0.73 CYP1A2 (0.44) SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL19176149 0.72 RIPK1 (0.51) RIPK1SLC6A4TAAR1CNR1CNR2
SCHEMBL6681496 0.71 TAAR1 (0.50) RIPK1TAAR1

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
US-5262420-A Phenylalkylpyridines IDEMITSU KOSAN CO., LTD. (JP) 1993-11-16 US disclosed
EP-0383950-A1 PYRIDINE DERIVATIVES AND INSECTICIDAL AND MITICIDAL AGENT CONTAINING SAME AS ACTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-08-29 EP disclosed