SCHEMBL7415355

SCHEMBL7415355

CN(C)c1c(Cl)cc(C(=O)O)c2c1NCCCO2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL7414100 0.87 GAA (0.33) HTTGAA
SCHEMBL7412572 0.83 HTT (0.35) HTTSMN1; SMN2POLBTSHRGAA
SCHEMBL7411412 0.81 HTT (0.34) HTTSMN1; SMN2POLBTSHRGAA
SCHEMBL7415393 0.80 CHRM2 (0.34) HTTSMN1; SMN2POLBTSHR
SCHEMBL7410791 0.71 KDM4E (0.36) HTTSMN1; SMN2GAA
SCHEMBL7406591 0.70 HSD17B10 (0.38) SMN1; SMN2TSHR
SCHEMBL13315461 0.70 SMN1; SMN2 (0.44) HTTSMN1; SMN2POLBTSHR
SCHEMBL7413113 0.70 SMN1; SMN2 (0.42) SMN1; SMN2
SCHEMBL7409129 0.69 HTR4 (0.40) GAA
SCHEMBL7417661 0.68 HTR4 (0.39) HTTSMN1; SMN2POLBGAA

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-4935511-A Nervous system, gastrointestinal disorders RORER PHARMACEUTICAL CORPORATION (US) 1990-06-19 US disclosed