SCHEMBL30697352

SCHEMBL30697352

CCCCCCCCCCCCCCCCCCN1CCC(C)C1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.51
GBA1 P04062 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ALOX5 P09917 2/20 0.39
MGLL Q99685 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL28740068 1.00 PIK3CD (0.51) PIK3CDGBA1CHRM2CHRM4CHRM5
Bromide SCHEMBL27981325 0.98 PIK3CD (0.50) PIK3CDGBA1CHRM2CHRM4CHRM5
SCHEMBL4653587 0.98 PIK3CD (0.53) PIK3CDGBA1CHRM2CHRM4CHRM5
SCHEMBL20894928 0.93 PIK3CD (0.55) PIK3CDGBA1CHRM2CHRM4CHRM5
Acetic Acid SCHEMBL29252348 0.92 GBA1 (0.46) PIK3CDGBA1CHRM2CHRM4CHRM5
SCHEMBL29252569 0.91 GBA1 (0.44) PIK3CDGBA1CHRM2CHRM4CHRM5
SCHEMBL28354948 0.88 GBA1 (0.44) PIK3CDGBA1CHRM2CHRM4CHRM5
SCHEMBL15560788 0.88 GBA1 (0.43) PIK3CDGBA1CHRM2CHRM4CHRM5
Trifluoromethanesulfonic Acid SCHEMBL29252133 0.87 GBA1 (0.42) PIK3CDGBA1CHRM2CHRM4CHRM5
SCHEMBL20894926 0.85 PIK3CD (0.58) PIK3CDCHRM2CHRM4CHRM5CHRM1

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
EP-4642768-A1 PROCESS FOR THE PREPARATION OF BIGUANIDINES AND TRIAZINES Adama Agan Ltd. (IL) 2025-11-05 EP disclosed
CN-119451939-A Crystal form of indenofloxacin, preparation method and application thereof 安道麦阿甘有限公司 2025-02-14 CN disclosed
WO-2024142035-A1 PROCESS FOR THE PREPARATION OF BIGUANIDINES AND TRIAZINES ADAMA AGAN LTD. (IL) 2024-07-04 WO disclosed
WO-2024003915-A1 CRYSTALLINE FORM OF INDAZIFLAM, METHODS FOR ITS PREPARATION AND USE THEREOF ADAMA AGAN LTD. (IL) 2024-01-04 WO disclosed