SCHEMBL8002145

SCHEMBL8002145

CCCCCCCCCCN=C=NCCCCCC

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.64
TSHR P16473 4/20 0.47
THRB P10828 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
DNM1 Q05193 5/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC22A1 O15245 1/20 0.36

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
SCHEMBL9741598 1.00 NAAA (0.64) NAAATSHRTHRBCYP1A2CYP2D6
SCHEMBL9742993 1.00 NAAA (0.64) NAAATSHRTHRBCYP1A2CYP2D6
SCHEMBL19344686 1.00 NAAA (0.64) NAAATSHRTHRBCYP1A2CYP2D6
SCHEMBL19336030 1.00 NAAA (0.64) NAAATSHRTHRBCYP1A2CYP2D6
SCHEMBL12325532 1.00 NAAA (0.64) NAAATSHRTHRBCYP1A2CYP2D6
SCHEMBL3791907 1.00 NAAA (0.64) NAAATSHRTHRBCYP1A2CYP2D6
SCHEMBL15781909 1.00 NAAA (0.64) NAAATSHRTHRBCYP1A2CYP2D6
SCHEMBL2045852 1.00 NAAA (0.64) NAAATSHRTHRBCYP1A2CYP2D6
SCHEMBL20822146 1.00 NAAA (0.64) NAAATSHRTHRBCYP1A2CYP2D6
SCHEMBL194533 1.00 NAAA (0.64) NAAATSHRTHRBCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294163-B1 Polymers containing guanidinium groups as bile acid sequestrants GELTEX PHARMACEUTICALS, INC. 2001-09-25 US disclosed