SCHEMBL19917602

SCHEMBL19917602

Cc1cc(C)c(-c2ccc3c4ccccc4n(-c4cc(-c5ccccc5C#N)cc(-n5c6ccccc6c6ccc(-c7c(C)cc(C)cc7C)cc65)c4C#N)c3c2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.35
PDE1C Q14123 2/20 0.35
TRPA1 O75762 1/20 0.34
NR3C1 P04150 1/20 0.34
PPARG P37231 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
ESR2 Q92731 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
PDE10A Q9Y233 1/20 0.32
ALDH1A1 P00352 5/20 0.32
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32

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
SCHEMBL19917603 0.97 TRPA1 (0.36) TRPA1NR3C1PPARGSMN1; SMN2HIF1A
SCHEMBL19917599 0.95 PDE9A (0.35) PDE9APDE1CTRPA1NR3C1PPARG
SCHEMBL19917598 0.91 NR3C1 (0.36) PDE9APDE1CTRPA1NR3C1PPARG
SCHEMBL19917628 0.89 TRPA1 (0.36) PDE9APDE1CTRPA1NR3C1PPARG
SCHEMBL19917588 0.88 TRPA1 (0.40) TRPA1NR3C1PPARGSMN1; SMN2HIF1A
SCHEMBL19917610 0.87 GABRA1 (0.37) PDE9APDE1CTRPA1PPARGSMN1; SMN2
SCHEMBL25660470 0.87 KIF11 (0.35) PDE9APDE1CNR3C1SMN1; SMN2ALDH1A1
SCHEMBL19917528 0.86 SMN1; SMN2 (0.39) PDE9APDE1CPPARGSMN1; SMN2HIF1A
SCHEMBL22898462 0.86 GRIN1 (0.37) TRPA1NR3C1PPARGSMN1; SMN2HIF1A
SCHEMBL21414241 0.85 PDE9A (0.36) PDE9APDE1CALDH1A1HPGDMAPK1

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
EP-3504200-B1 HETEROCYCLICALLY SUBSTITUTED BIPHENYLS, ESPECIALLY FOR USE IN OPTOELECTRONIC APPARATUSES CYNORA GMBH (DE) 2021-01-20 EP disclosed
WO-2018037069-A1 HETEROCYCLICALLY SUBSTITUTED BIPHENYLS, ESPECIALLY FOR USE IN OPTOELECTRONIC APPARATUSES CYNORA GMBH (DE) 2018-03-01 WO disclosed