SCHEMBL9795156

SCHEMBL9795156

NCCNC(=O)[C@H]1CC[C@H](O)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
GNAI3 P08754 2/20 0.41
GNAO1 P09471 2/20 0.41
GNAI1 P63096 2/20 0.41
NAAA Q02083 1/20 0.40
EPHX1 P07099 1/20 0.37
TRPA1 O75762 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
GFER P55789 1/20 0.35
SPR P35270 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
MC4R P32245 1/20 0.35
EPHX2 P34913 1/20 0.34
POLB P06746 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
SCHEMBL9795353 1.00 KMT2A (0.42) KMT2AGNAI3GNAO1GNAI1NAAA
SCHEMBL9795164 1.00 KMT2A (0.42) KMT2AGNAI3GNAO1GNAI1NAAA
SCHEMBL4679423 0.92
SCHEMBL9795532 0.89 GNAI3 (0.46) KMT2AGNAI3GNAO1GNAI1NAAA
SCHEMBL9795113 0.89 GNAI3 (0.46) KMT2AGNAI3GNAO1GNAI1NAAA
SCHEMBL9795120 0.89 GNAI3 (0.46) KMT2AGNAI3GNAO1GNAI1NAAA
SCHEMBL4678443 0.83 NAAA (0.55) KMT2AGNAI3GNAO1GNAI1NAAA
SCHEMBL4679015 0.83 NAAA (0.50) KMT2AGNAI3GNAO1GNAI1NAAA
SCHEMBL15305136 0.82 GNAI3 (0.43) KMT2AGNAI3GNAO1GNAI1NAAA
SCHEMBL23419143 0.82 NAAA (0.58) KMT2ANAAAEPHX1TSHRHSD17B10

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-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed