SCHEMBL9801142

SCHEMBL9801142

CC(O)CCN1CCN(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
PAOX Q6QHF9 1/20 0.41
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
MGLL Q99685 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PHGDH O43175 1/20 0.34
HTR1A P08908 1/20 0.34
MC4R P32245 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 2/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL24319340 1.00 GAA (0.41) GAAPAOXKDM4EGLAMGLL
SCHEMBL25304200 1.00 GAA (0.41) GAAPAOXKDM4EGLAMGLL
SCHEMBL9319178 0.92 HRH3 (0.38) HRH3TP53SMN1; SMN2
SCHEMBL23729784 0.84 GAA (0.38) GAAPAOXKDM4EGLAMGLL
SCHEMBL9801809 0.83 DRD2 (0.39) HRH3SIGMAR1SMN1; SMN2
SCHEMBL9801052 0.83 KMT2A (0.48) GAAKDM4EALDH1A1TP53POLB
SCHEMBL9801680 0.83 KDM4E (0.35) KDM4EHRH3SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL438181 0.82 PAOX (0.38) GAAPAOXMC4RSIGMAR1ALDH1A1
SCHEMBL3271095 0.82 HRH3 (0.46) HRH3ALDH1A1POLB
SCHEMBL9801327 0.81 ALOX15 (0.59) HRH3SIGMAR1ALDH1A1TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022047145-A1 RAPIDLY ACCELERATING FIBROSARCOMA PROTEIN DEGRADING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2022-03-03 WO disclosed
EP-2414327-B1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2014-11-19 EP disclosed
US-8841324-B2 Heterocyclic compounds as autotaxin inhibitors MERCK PATENT GMBH (DE) 2014-09-23 US disclosed
US-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed