SCHEMBL29990844

SCHEMBL29990844

CCCNC(=O)OC1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.50
BCHE P06276 3/20 0.49
GAA P10253 1/20 0.47
GNAI3 P08754 2/20 0.43
GNAO1 P09471 2/20 0.43
GNAI1 P63096 2/20 0.43
KCNA3 P22001 3/20 0.41
CHRM3 P20309 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL4484094 0.90 GAA (0.58) EPHX1BCHEGAAGNAI3GNAO1
SCHEMBL29991483 0.89 GNAI3 (0.57) EPHX1BCHEGAAGNAI3GNAO1
SCHEMBL9544590 0.87 GNAI3 (0.60) EPHX1BCHEGAAGNAI3GNAO1
SCHEMBL104271 0.87 EPHX1 (0.58) EPHX1BCHEGAAKCNA3MEN1
SCHEMBL2897100 0.86 EPHX1 (0.68) EPHX1BCHEGAAGNAI3GNAO1
SCHEMBL2904411 0.84 CHRM3 (0.44) EPHX1BCHEGAAGNAI3GNAO1
Hydrochloric Acid SCHEMBL2897098 0.84 EPHX1 (0.66) EPHX1BCHEGAAGNAI3GNAO1
SCHEMBL23200480 0.84 EPHX1 (0.70) EPHX1BCHEGAAKCNA3MEN1
SCHEMBL20928290 0.84 EPHX1 (0.65) EPHX1BCHEGAAKCNA3MEN1
SCHEMBL29991599 0.83 MEN1 (0.46) EPHX1GAAGNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4334307-A1 CDK2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-03-13 EP disclosed
WO-2022236058-A1 CDK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed