SCHEMBL21392007

SCHEMBL21392007

CCCc1cccc(N(c2ccc(C)cc2)c2cccc(CCC)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
CNR2 P34972 3/20 0.40
TAAR1 Q96RJ0 1/20 0.39
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PAX8 Q06710 2/20 0.35
TP53 P04637 1/20 0.35
GPX4 P36969 1/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 1/20 0.35
CNR1 P21554 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL24478732 1.00 CYP2C19 (0.42) CYP2C19CNR2TAAR1LPLLIPG
SCHEMBL14997333 0.90 LPL (0.45) CYP2C19CNR2TAAR1LPLLIPG
SCHEMBL12374362 0.90 LPL (0.45) CYP2C19CNR2TAAR1LPLLIPG
SCHEMBL21391970 0.88 LPL (0.51) LPLLIPG
SCHEMBL12619659 0.87 CYP2C19 (0.36) CYP2C19CNR2ALDH1A1TP53TSHR
SCHEMBL19670694 0.87 DRD3 (0.44) CYP2C19LPLLIPGDRD2DRD3
SCHEMBL12619873 0.87 LPL (0.53) LPLLIPGALDH1A1NPC1RAB9A
SCHEMBL12374378 0.85 LPL (0.42) CYP2C19CNR2LPLLIPGDRD2
SCHEMBL21392008 0.85 CYP2C19 (0.44) CYP2C19TP53
SCHEMBL13136832 0.85 CYP2C19 (0.44) CYP2C19TP53

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-11094474-B2 Photoelectric conversion element, dye-sensitized solar cell, metal complex dye, dye composition, and oxide semiconductor electrode FUJIFILM CORPORATION (JP) 2021-08-17 US disclosed
US-20190295779-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE COMPOSITION, AND OXIDE SEMICONDUCTOR ELECTRODE FUJIFILM CORPORATION (JP) 2019-09-26 US disclosed