SCHEMBL9587795

SCHEMBL9587795

CC(CCc1ccccc1)c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
CYP1A2 P05177 4/20 0.44
CYP2C9 P11712 4/20 0.44
CYP2C19 P33261 4/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
HIF1A Q16665 1/20 0.44
GAA P10253 1/20 0.44
RIPK1 Q13546 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ABCB1 P08183 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL9587809 0.93 SLC6A3 (0.47) SLC6A2SLC6A4SLC6A3CYP1A2CYP2C9
SCHEMBL9588733 0.89 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP1A2CYP2C9
SCHEMBL9588396 0.88 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CYP1A2CYP2C9
SCHEMBL9587151 0.86 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL9588633 0.86 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL1324113 0.86 RIPK1 (0.55) SLC6A2SLC6A4SLC6A3CYP1A2CYP2C9
SCHEMBL21524663 0.84 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3GAARIPK1
SCHEMBL9587937 0.84 ALDH1A1 (0.43) CYP1A2ALDH1A1LMNAPOLB
SCHEMBL9586662 0.82 CYP19A1 (0.43) POLB
SCHEMBL9587186 0.82 TAAR1 (0.39) CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118620396-A Liquid silicone rubber and preparation method thereof 河南驼人医疗器械集团有限公司 2024-09-10 CN disclosed
CN-115894660-B Polyethylene glycol derivative modified interleukin 12 and preparation method and application thereof 康立泰生物医药(青岛)有限公司 2024-03-15 CN disclosed
CN-117702142-A C (C) 4 Process for preparing substituted pyridine derivatives 五邑大学 2024-03-15 CN disclosed
WO-2023051801-A1 POLYETHYLENE GLYCOL DERIVATIVE MODIFIED INTERLEUKIN-12, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 康立泰生物医药(青岛)有限公司 2023-04-06 WO disclosed
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