SCHEMBL5475300

SCHEMBL5475300

C1CCN=C(N2CCCCCC2)CC1

nearest known ligand 0.91

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
INMT O95050 4/20 0.91
USP2 O75604 2/20 0.91
NOS3 P29474 5/20 0.41
NOS1 P29475 5/20 0.41
NOS2 P35228 5/20 0.41
ACHE P22303 5/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL496207 1.00 INMT (0.91) INMTUSP2NOS3NOS1NOS2
SCHEMBL219036 1.00 INMT (0.91) INMTUSP2NOS3NOS1NOS2
SCHEMBL6859113 1.00 INMT (0.91) INMTUSP2NOS3NOS1NOS2
SCHEMBL2956216 1.00 INMT (0.91) INMTUSP2NOS3NOS1NOS2
SCHEMBL3270217 1.00 INMT (0.91) INMTUSP2NOS3NOS1NOS2
SCHEMBL2956214 1.00 INMT (0.91) INMTUSP2NOS3NOS1NOS2
SCHEMBL6038391 1.00 INMT (0.91) INMTUSP2NOS3NOS1NOS2
SCHEMBL2742282 1.00 INMT (0.91) INMTUSP2NOS3NOS1NOS2
SCHEMBL20718625 1.00 INMT (0.91) INMTUSP2NOS3NOS1NOS2
SCHEMBL2952223 1.00 INMT (0.91) INMTUSP2NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287762-A1 Tertiary Amine Capped Polyether Polyols CASATI FRANCOIS M 2007-12-13 US disclosed
EP-1699842-A1 PROCESS FOR PRODUCING POLYURETHANE PRODUCTS USING AUTOCATALYTIC TERTIARY AMINE CAPPED POLYETHER POLYOLS Dow Gloval Technologies Inc. (US) 2006-09-13 EP disclosed
WO-2005063841-A1 PROCESS FOR PRODUCING POLYURETHANE PRODUCTS AUTOCATALYTIC USING TERTIARY AMINE CAPPED POLYETHER POLYOLS DOW GLOBAL TECHNOLOGIES INC. (US) 2005-07-14 WO disclosed
EP-0069295-B1 PROCESS FOR THE MANUFACTURE OF POSSIBLY CELLULAR POLYURETHANE OR POLYURETHANE-POLYUREA MOULDED ARTICLES BASF Aktiengesellschaft (DE) 1986-05-21 EP disclosed
US-4469653-A AS POLYMERIZATION CATALYSTS BASF AKTIENGESELLSCHAFT (DE) 1984-09-04 US disclosed
EP-0069295-A1 Process for the manufacture of possibly cellular polyurethane or polyurethane-polyurea moulded articles BASF Aktiengesellschaft (DE) 1983-01-12 EP disclosed