SCHEMBL4905025

SCHEMBL4905025

C1CC[N+]2(C1)CCNCC2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HIF1A Q16665 1/20 0.33
MAPT P10636 1/20 0.33
PDE4A P27815 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL4903063 0.97 ALDH1A1 (0.41) CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT
Bromide SCHEMBL10885562 0.94 CXCR4 (0.32) CXCR4SMN1; SMN2ALDH1A1
SCHEMBL18770812 0.90 CXCR4 (0.33) CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT
SCHEMBL2113537 0.89 HIF1A (0.42) CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT
SCHEMBL18770798 0.87 CXCR4 (0.39) CXCR4SMN1; SMN2ALDH1A1
Bromide SCHEMBL18770824 0.87 CXCR4 (0.32) CXCR4SMN1; SMN2ALDH1A1
SCHEMBL12604569 0.85 HIF1A (0.39) CXCR4SMN1; SMN2ALDH1A1HIF1AMAPT
SCHEMBL4977472 0.85
Bromide SCHEMBL18770826 0.84 CXCR4 (0.37) CXCR4SMN1; SMN2ALDH1A1
Bromide SCHEMBL18770834 0.84 CXCR4 (0.37) CXCR4SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0078152-B1 SALTS OF SULFODEHYDROABIETIC ACID AND TREATMENT OF GASTRO-INTESTINAL DISEASES Tanabe Seiyaku Co., Ltd. (JP) 1986-05-07 EP claimed
EP-1867667-B1 Method for manufacturing stabilized polyacetal resin POLYPLASTICS CO (JP) 2012-10-31 EP disclosed
US-20080271381-A1 Method for manufacturing stabilized polyacetal resin, stabilized polyacetal resin, stabilized polyacetal resin composition, and molded article of stabilized polyacetal resin POLYPLASTICS CO., LTD (JP) 2008-11-06 US disclosed
EP-1867667-A1 Method for manufacturing stabilized polyacetal resin, stabilized polyacetal resin, stabilized polyacetal resin composition, and molded article of stabilized polyacetal resin Polyplastics Co., Ltd. (JP) 2007-12-19 EP disclosed
EP-0078152-B1 SALTS OF SULFODEHYDROABIETIC ACID AND TREATMENT OF GASTRO-INTESTINAL DISEASES Tanabe Seiyaku Co., Ltd. (JP) 1986-05-07 EP disclosed