SCHEMBL7413697

SCHEMBL7413697

CCC(=O)N1CCN(CCN)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
DRD3 P35462 1/20 0.49
BLM P54132 1/20 0.43
SIGMAR1 Q99720 3/20 0.43
GAA P10253 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL27760615 0.89 SIGMAR1 (0.49) DRD3BLMSIGMAR1GAACHRNB2
SCHEMBL27969328 0.87 SIGMAR1 (0.48) DRD3BLMSIGMAR1GAAALDH1A1
SCHEMBL24500534 0.83 DRD3 (0.51) DRD3BLMGAACHRNB2CHRNA3
SCHEMBL6328566 0.82 ALOX15 (0.54) ALOX15SIGMAR1GAAALDH1A1HRH2
SCHEMBL10076105 0.82 DRD3 (0.50) DRD3BLMGAACHRNB2CHRNA3
SCHEMBL3614951 0.80 GNAI3 (0.61) SIGMAR1ALDH1A1HRH2HRH1MEN1
SCHEMBL488806 0.80 ALOX15 (0.52) ALOX15SIGMAR1GAAALDH1A1HRH2
SCHEMBL31563812 0.80 ALOX15 (0.52) ALOX15SIGMAR1ALDH1A1KMT2A
SCHEMBL7413694 0.80 DRD3 (0.49) DRD3BLMGAACHRNB2CHRNA3
SCHEMBL24773181 0.80 HRH2 (0.53) DRD3BLMSIGMAR1GAACHRNB2

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-2023224963-A1 DUAL-ACTING ANGIOTENSIN AND ENDOTHELIN RECEPTOR ANTAGONISTS ARIA PHARMACEUTICALS, INC. (US) 2023-11-23 WO disclosed
US-5273976-A Ocular hypotensive agents SANKYO COMPANY, LIMITED (JP) 1993-12-28 US disclosed
US-5175161-A Treatment of glaucoma SANKYO COMPANY, LIMITED (JP) 1992-12-29 US disclosed
EP-0391721-A2 Ocular hypotensive agents Sankyo Company Limited (JP) 1990-10-10 EP disclosed