SCHEMBL3237330

SCHEMBL3237330

C1CC(NC2CCNCC2)CCN1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.50
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.44
GNAI3 P08754 3/20 0.44
GNAO1 P09471 3/20 0.44
GNAI1 P63096 3/20 0.44
KDM1A O60341 11/20 0.43
MAOB P27338 4/20 0.43
CISD1 Q9NZ45 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
KCNH2 Q12809 1/20 0.40
MAOA P21397 3/20 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
SCHEMBL1955385 0.97 EPHX1 (0.48) EPHX1ALDH1A1HSD17B10POLBGNAI3
Hydrochloric Acid SCHEMBL29035917 0.94 EPHX1 (0.46) EPHX1ALDH1A1HSD17B10POLBGNAI3
SCHEMBL13902993 0.91 ALDH1A1 (0.53) EPHX1ALDH1A1HSD17B10POLBGNAI3
SCHEMBL3818790 0.91 ALDH1A1 (0.61) EPHX1ALDH1A1HSD17B10POLBGNAI3
SCHEMBL24312790 0.88 KCNH2 (0.44) EPHX1ALDH1A1HSD17B10POLBGNAI3
SCHEMBL23547305 0.88 ALDH1A1 (0.67) EPHX1ALDH1A1HSD17B10POLBGNAI3
SCHEMBL2280475 0.88 ALDH1A1 (0.67) EPHX1ALDH1A1HSD17B10POLBGNAI3
SCHEMBL23547389 0.88 ALDH1A1 (0.67) EPHX1ALDH1A1HSD17B10POLBGNAI3
Hydrochloric Acid SCHEMBL542931 0.88 ALDH1A1 (0.58) EPHX1ALDH1A1HSD17B10POLBGNAI3
SCHEMBL13014506 0.88 ALDH1A1 (0.67) EPHX1ALDH1A1HSD17B10POLBGNAI3

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
WO-2024112119-A1 DEGRADER FOR DECOMPOSING CMET PROTEIN, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 이노큐어테라퓨틱스 2024-05-30 WO disclosed
WO-2022074459-A2 AUTOTAXIN INHIBITOR COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-04-14 WO disclosed
WO-2010065799-A2 AMINE SUBSTITUTED PIPERIDINE MELANOCORTIN RECEPTOR-SPECIFIC COMPOUNDS PALATIN TECHNOLOGIES, INC. (US) 2010-06-10 WO disclosed