SCHEMBL29516760

SCHEMBL29516760

Clc1ccc(CN=C2Nc3ccccc3NC23CCNCC3)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACAT2 Q9BWD1 5/20 0.78
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HPGD P15428 1/20 0.44
DRD2 P14416 1/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
C3AR1 Q16581 2/20 0.33
TACR1 P25103 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL29353066 0.88 ACAT2 (1.00) ACAT2MAPTC3AR1TACR1CRHBP
SCHEMBL17757275 0.66 ACAT2 (0.41) ACAT2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL17757717 0.66 ACAT2 (0.40) ACAT2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30552386 0.65 BACE1 (0.47) ACAT2MEN1KMT2AALDH1A1LMNA
SCHEMBL17757948 0.64 ACAT2 (0.47) ACAT2MEN1KMT2ATACR1ALDH1A1
SCHEMBL17757953 0.64 ACAT2 (0.47) ACAT2MEN1KMT2ATACR1ALDH1A1
SCHEMBL3248953 0.61 ALDH1A1 (0.57) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1001984 0.59 MAOA (0.47) DRD2CYP2C9
SCHEMBL20224876 0.59 DRD2 (0.46) MEN1KMT2ADRD2ALDH1A1CYP2C9
SCHEMBL336299 0.59 DRD2 (0.55) MEN1KMT2ADRD2GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3217982-B1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM GESUNDHEIT & UMWELT GMBH (DE) 2025-05-28 EP disclosed
EP-3021847-B1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM GESUNDHEIT & UMWELT GMBH (DE) 2023-06-07 EP disclosed
US-RE48992-E1 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN-DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2022-03-29 US disclosed