SCHEMBL9587151

SCHEMBL9587151

CC(CCCCCc1ccccc1)c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HRH1 P35367 2/20 0.43
SIGMAR1 Q99720 9/20 0.43

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
SCHEMBL9588633 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HRH1SIGMAR1
SCHEMBL9588396 0.98 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3HRH1SIGMAR1
SCHEMBL9588733 0.93 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL9587795 0.86 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL6282911 0.86 RIPK1 (0.50) SIGMAR1
SCHEMBL5502875 0.81 RIPK1 (0.52) SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL9587809 0.80 SLC6A3 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL10435318 0.79 TAAR1 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL21524663 0.79 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3
SCHEMBL9588693 0.78 HRH1 (0.65) HRH1SIGMAR1

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-5262420-A Phenylalkylpyridines IDEMITSU KOSAN CO., LTD. (JP) 1993-11-16 US disclosed