SCHEMBL9586338

SCHEMBL9586338

CCc1cnccc1CCC(C)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
TBXAS1 P24557 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
TRPA1 O75762 2/20 0.37
CYP2D6 P10635 1/20 0.37
TAAR1 Q96RJ0 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
MAOA P21397 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP2A6 P11509 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL9587199 0.89 LMNA (0.43) LMNAALDH1A1MEN1KMT2ATSHR
SCHEMBL9587330 0.87 SLC6A2 (0.41) LMNASLC6A2SLC6A4SLC6A3TBXAS1
SCHEMBL9586839 0.79 RIPK1 (0.40) LMNASLC6A2SLC6A4SLC6A3TRPA1
SCHEMBL27335859 0.78 AOC1 (0.41) LMNACYP3A4CYP2D6CYP2A6
SCHEMBL9588340 0.77 TDP1 (0.49) TBXAS1MEN1KMT2A
SCHEMBL9589256 0.77 TDP1 (0.45) TBXAS1
SCHEMBL9846137 0.77 CYP2E1 (0.34) LMNACYP3A4CYP2D6CYP2A6
SCHEMBL9588164 0.76 LMNA (0.40) LMNASLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL9587635 0.76 LMNA (0.42) LMNAALDH1A1
SCHEMBL9588159 0.76 LMNA (0.40) LMNASLC6A2SLC6A4SLC6A3TBXAS1

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
US-5262420-A Phenylalkylpyridines IDEMITSU KOSAN CO., LTD. (JP) 1993-11-16 US claimed
US-5262420-A Phenylalkylpyridines IDEMITSU KOSAN CO., LTD. (JP) 1993-11-16 US disclosed
US-5256670-A N-aryl-3-aryl-4-substituted-2,3,4,5-tetrahydro-1H-pyrazole-1-carboxamides, insecticidal compositions containing such compounds and methods of controlling insects such compounds ROHM AND HAAS COMPANY (US) 1993-10-26 US disclosed
EP-0490569-A1 N-aryl-3-aryl-4-substitued-2,3,4,5-tetrahydro-1H-pyrazole-1-carboxamides and methods of their production ROHM AND HAAS COMPANY (US) 1992-06-17 EP disclosed
US-5109014-A Useful as insecticide or pesticide DOW AGROSCIENCES LLC, A DELAWARE LIMITED LIABILITY COMPANY 1992-04-28 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