SCHEMBL10448682

SCHEMBL10448682

CC(C)(N)CCc1nc(CCC(C)(C)N)nc(CCC(C)(C)N)n1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.32
CASP1 P29466 1/20 0.31

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
SCHEMBL11079946 0.74 HSP90AA1 (0.33)
SCHEMBL58748 0.67 GRM4 (0.45) GRM4
SCHEMBL21058265 0.67 SLC6A2 (0.44)
SCHEMBL11074871 0.64
SCHEMBL5612475 0.63 CASP1 (0.56) CASP1
SCHEMBL451516 0.62 TAAR1 (0.60) CASP1
SCHEMBL5443031 0.61 GRM4 (0.41) GRM4
SCHEMBL14420440 0.61 GRM4 (0.41) GRM4
SCHEMBL28769215 0.59
SCHEMBL22813192 0.59 GRM4 (0.39) GRM4

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-0361334-A2 Process for making low density flexible polyurethane foams THE DOW CHEMICAL COMPANY (US) 1990-04-04 EP disclosed
US-4430840-A FEEDING DIPHENYLMETHANE DIISOCYANATE, CATALYST, WATER, AND SOFTENING AGENT INTO HOLE, AND FOAMING SEALED AIR CORPORATION (US) 1984-02-14 US disclosed