SCHEMBL9337939

SCHEMBL9337939

CC(CCCCCN)NCC(O)CNC(C)CCCCCN

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.40
TRPA1 O75762 1/20 0.40
ADRB2 P07550 8/20 0.38
SPHK1 Q9NYA1 1/20 0.35
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
CPB2 Q96IY4 1/20 0.32
GSR P00390 1/20 0.32
DNM1 Q05193 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
SCHEMBL9816813 0.98 ADRB2 (0.39) TRPV1TRPA1ADRB2SPHK1MEN1
SCHEMBL10887263 0.82 ADRB2 (0.54) ADRB2SPHK1
SCHEMBL9816831 0.78 KDM4E (0.35) ADRB2
SCHEMBL27482985 0.76 ADRB2 (0.53) ADRB2SPHK1
SCHEMBL26218436 0.74 TRPV1 (0.41) TRPV1TRPA1GNAI3GNAO1GNAI1
SCHEMBL9614227 0.73 ADRB2 (0.50) ADRB2SPHK1
SCHEMBL18917151 0.72 CA12 (0.50) GNAI3GNAO1GNAI1MEN1KMT2A
SCHEMBL14115771 0.72
SCHEMBL26499223 0.72
SCHEMBL17293252 0.72 DNM1 (0.40) TRPV1TRPA1MEN1ALDH1A1KMT2A

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-0303158-B1 Curable compounds, their preparation and use HOECHST AG (DE) 1994-06-15 EP disclosed
US-5132458-A Electrodepositable coating from cyclic carbonates and hydroxyamines HOECHST AG (DE) 1992-07-21 US disclosed
EP-0303158-A2 Curable compounds, their preparation and use HOECHST AKTIENGESELLSCHAFT (DE) 1989-02-15 EP disclosed