SCHEMBL9588396

SCHEMBL9588396

CC(CCCCc1ccccc1)c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
SIGMAR1 Q99720 3/20 0.41
CYP19A1 P11511 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL9587151 0.98 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3SIGMAR1HRH1
SCHEMBL9588633 0.98 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3SIGMAR1HRH1
SCHEMBL9588733 0.95 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3SIGMAR1CYP1A2
SCHEMBL9587795 0.88 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL6282911 0.88 RIPK1 (0.50) SIGMAR1CYP19A1L3MBTL1
SCHEMBL5502875 0.82 RIPK1 (0.52) SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL9587809 0.81 SLC6A3 (0.47) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL21524663 0.80 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3GAA
SCHEMBL8200263 0.78 HRH1 (0.61) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28012512 0.78 L3MBTL1 (0.54) L3MBTL1HRH1

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