SCHEMBL9404891

SCHEMBL9404891

CCC(Nc1ccc(NC(C)=O)c2c1SCCC2=O)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
MAOA P21397 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
SCHEMBL7657838 0.78 ALDH1A1 (0.38) MAOA
SCHEMBL7664272 0.76 ALDH1A1 (0.39) MAOA
SCHEMBL9404925 0.76 POLB (0.41) MAOA
SCHEMBL7653076 0.75 HDAC1 (0.38) MAOA
SCHEMBL9404893 0.75 SMN1; SMN2 (0.38)
SCHEMBL9404756 0.75 KCNH2 (0.39) MAOA
SCHEMBL9404931 0.75 MAOA (0.33) MAOA
SCHEMBL9404911 0.74 TERT (0.35)
SCHEMBL9404941 0.73 ALDH1A1 (0.43) TSHR
SCHEMBL9404879 0.72 ALDH1A1 (0.36) MAOA

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
EP-0296597-B1 Hexa-cyclic compound DAIICHI SEIYAKU CO (JP) 1994-09-21 EP disclosed
US-5061795-A ANTITUMOR AGENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US disclosed
US-4939255-A Hexa-cyclic camptothecin derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-07-03 US disclosed