SCHEMBL7427616

SCHEMBL7427616

CN1CCCCC1COC(=O)c1cccc(NC(=O)C(CS)Cc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.54
CHRNA4 P43681 8/20 0.54
CHRNA7 P36544 6/20 0.54
CHRNA5 P30532 3/20 0.54
CHRM3 P20309 7/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL7433128 0.89 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA7CHRNA5CHRM3
SCHEMBL7438953 0.85 RAB9A (0.44) KMT2ARAB9A
SCHEMBL7435418 0.82 NPSR1 (0.50) KMT2ATSHRRAB9A
SCHEMBL7440850 0.80 MAPT (0.60) KMT2ATSHRRAB9A
SCHEMBL7434975 0.79 RAB9A (0.63) KMT2ARAB9A
SCHEMBL7433322 0.78 ALDH1A1 (0.58) KMT2ARAB9A
SCHEMBL7425411 0.76 KMT2A (0.52) KMT2ATSHRRAB9A
SCHEMBL7435298 0.76 RAB9A (0.49) RAB9A
SCHEMBL7430630 0.76 RAB9A (0.48) RAB9A
SCHEMBL7434594 0.75 RAB9A (0.47) RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5179125-A Analgesics DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-01-12 US disclosed
EP-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed