SCHEMBL6161362

SCHEMBL6161362

CCCCCCCCCCCCCCCC=CC1=NC(C=CCCCCCCCCCCCCCCC)CN1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 13/20 0.36
FAAH O00519 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
FABP3 P05413 1/20 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
SCHEMBL6940547 0.90 ALDH1A1 (0.35) CCR5FAAH
SCHEMBL11204048 0.81 FAAH (0.33) FAAHTRPV1
SCHEMBL11014260 0.81 CCR5 (0.34) CCR5FAAHTRPV1
SCHEMBL5881248 0.77 TNNC1 (0.32)
SCHEMBL11342438 0.77 HTR2A (0.32) FAAHTRPV1
SCHEMBL6256174 0.76 GLB1 (0.33) CCR5
SCHEMBL7778407 0.76 CCR5 (0.32) CCR5
SCHEMBL16857 0.69 NISCH (0.40) CCR5FAAHTRPV1
SCHEMBL2813083 0.69 NISCH (0.40) CCR5FAAHTRPV1
SCHEMBL11467223 0.67 EPHX2 (0.38) FAAHTRPV1FABP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1063263-B1 Method of preparing heating type paving material and composition used therefor TOHO CHEM IND CO LTD (JP) 2005-02-16 EP disclosed
US-6281273-B1 REACTION PRODUCT OF POLYALKYLENEPOLYAMINE WITH FATTY ACID AND POLYOLEFIN TOHO CHEMICAL INDUSTRY CO., LTD. (JP) 2001-08-28 US disclosed
EP-1063263-A2 Method of preparing heating type paving material and composition used therefor TOHO CHEMICAL INDUSTRY CO., LTD. (JP) 2000-12-27 EP disclosed