SCHEMBL7696252

SCHEMBL7696252

CCCCCn1cc(C#N)cc1N

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 17/20 0.40
ICMT O60725 1/20 0.40
CNR2 P34972 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL5157095 0.70
SCHEMBL201520 0.67 ACACB (0.45) ICMTCNR2TSHRHSD17B10
SCHEMBL7222725 0.67 TLR8 (0.44) TLR8TSHRHSD17B10
SCHEMBL2791515 0.66 KDM4E (0.36) TLR8HSD17B10
SCHEMBL8652248 0.66 NPC1 (0.49) ICMTTSHRHSD17B10
SCHEMBL5796848 0.64 CYP19A1 (0.39) TSHRHSD17B10
SCHEMBL1155792 0.62 KIF11 (0.31)
SCHEMBL3618459 0.62 TLR8 (0.50) TLR8
SCHEMBL24885636 0.61 TLR8 (0.57) TLR8ICMTTSHRHSD17B10
SCHEMBL9684661 0.61 GRK6 (0.39) TLR8TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6342503-B1 ANTIDEPRESSANTS, EATING DISORDERS DUPONT PHARMACEUTICALS COMPANY 2002-01-29 US disclosed
US-6107301-A PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 US disclosed
CN-1142817-A 1N-alkyl-N-arylpyrimidinamines and derivatives thereof DU PONT MERCK PHARMA (US) 1997-02-12 CN disclosed
EP-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 EP disclosed
WO-1995010506-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-20 WO disclosed