SCHEMBL17249602

SCHEMBL17249602

CC(=O)N(C)CC(C)(C)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.39
ALDH1A1 P00352 2/20 0.32
MLYCD O95822 1/20 0.31
HMGCR P04035 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM3 P20309 2/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL1697337 0.81 CHRM1 (0.41) CHRM1ALDH1A1CHRM2CHRM4CHRM5
SCHEMBL20501492 0.79 ALDH1A1 (0.36) CHRM1ALDH1A1MLYCDHMGCRTBXA2R
SCHEMBL24722770 0.77 ALDH1A1 (0.30) ALDH1A1MLYCD
SCHEMBL16730612 0.77 DPP4 (0.31) ALDH1A1MLYCD
SCHEMBL15224072 0.77 CHRM1 (0.38) CHRM1
SCHEMBL29889466 0.77 CHRM1 (0.38) CHRM1
SCHEMBL22605784 0.75 CHRM1 (0.37) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL11892785 0.75 MLYCD (0.33) ALDH1A1MLYCD
SCHEMBL14175250 0.75 CHRM1 (0.41) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL18331582 0.75 CHRM1 (0.37) CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022253311-A1 HPK1 INHIBITOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-12-08 WO disclosed
WO-2021013083-A1 TRICYCLIC COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-28 WO disclosed
WO-2021000925-A1 PYRROLO [2, 3-b] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-07 WO disclosed
WO-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 WO disclosed
WO-2019161159-A1 NON-AGGREGATING HEPTAMETHINE CYANINE FLUOROPHORES FOR IN VIVO IMAGING THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-08-22 WO disclosed
WO-2015169180-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND METHODS AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-11-12 WO disclosed