SCHEMBL11237405

SCHEMBL11237405

CCC(=O)NC(C)C1CCCN1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.37
SLC6A3 Q01959 5/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 3/20 0.36
GPR88 Q9GZN0 1/20 0.36
CYP2C9 P11712 1/20 0.35
PRCP P42785 1/20 0.35
DHFR P00374 1/20 0.35

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
SCHEMBL11240149 0.82 SLC6A3 (0.38) DPP7SLC6A3SLC6A2SLC6A4DHFR
Hydrochloric Acid SCHEMBL27701334 0.78 SLC6A3 (0.38) SLC6A3SLC6A2
SCHEMBL27916092 0.75 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL13312984 0.73 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL27566224 0.73 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL26790780 0.72 CYP2C9 (0.43) CYP2C9
SCHEMBL22915801 0.72 CYP2C9 (0.43) CYP2C9
SCHEMBL26790781 0.72 CYP2C9 (0.43) CYP2C9
SCHEMBL18314658 0.72 CA12 (0.56) CYP2C9
SCHEMBL16245455 0.71 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4326067-A FROM OXAZOLINE WITH AN AMINE THE DOW CHEMICAL COMPANY (US) 1982-04-20 US claimed