SCHEMBL7530285

SCHEMBL7530285

CCCCCCCCCCCCN(C)NCC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.52
TSHR P16473 2/20 0.40
THRB P10828 1/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
ALDH1A1 P00352 1/20 0.35
EPHX1 P07099 1/20 0.35
GBA1 P04062 1/20 0.34
GGPS1 O95749 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
SCHEMBL15935966 1.00 DNM1 (0.52) DNM1TSHRTHRBCA12CA1
SCHEMBL11090614 1.00 DNM1 (0.52) DNM1TSHRTHRBCA12CA1
SCHEMBL17067235 1.00 DNM1 (0.52) DNM1TSHRTHRBCA12CA1
SCHEMBL15935952 0.97 DNM1 (0.48) DNM1TSHRTHRBCA12CA1
SCHEMBL2885824 0.90
SCHEMBL1492466 0.83 DNM1 (0.50) DNM1TSHRTHRBALDH1A1EPHX1
SCHEMBL27890407 0.83 DNM1 (0.50) DNM1TSHRTHRBALDH1A1EPHX1
SCHEMBL17073505 0.83 DNM1 (0.50) DNM1TSHRTHRBCA12CA1
SCHEMBL30195086 0.82 DNM1 (0.55) DNM1TSHRTHRBCA12CA1
SCHEMBL21016410 0.80 DNM1 (0.46) DNM1TSHRTHRBALDH1A1EPHX1

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
EP-0669949-B1 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS COGNIS CORP (US) 2002-03-13 EP disclosed
EP-0669949-A4 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS. HENKEL CORP (US) 1996-07-10 EP disclosed
EP-0669949-A1 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS HENKEL CORPORATION (US) 1995-09-06 EP disclosed
US-5444127-A Urea, thiourea, guanidine derivatives, curing agents for epoxy resins, odorless, low temperature HENKEL CORPORATION (US) 1995-08-22 US disclosed
WO-1994009051-A1 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS HENKEL CORPORATION (US) 1994-04-28 WO disclosed
US-4505833-A USING A QUATERNARY OLIGOMER AS AN ANTISWELLING AGENT AND PREVENT MMIGRATION IN OIL WELLS DIAMOND SHAMROCK CHEMICALS COMPANY (US) 1985-03-19 US disclosed