SCHEMBL9296706

SCHEMBL9296706

CC(=O)NCCc1cccc(C#N)n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.50
MAPK1 P28482 1/20 0.43
ACACB O00763 1/20 0.43
MTNR1A P48039 10/20 0.43
MTNR1B P49286 9/20 0.43
HTT P42858 1/20 0.43
CA12 O43570 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
F13A1 P00488 1/20 0.41

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
SCHEMBL2956236 0.88 MAPK1 (0.40) NPSR1MAPK1SMN1; SMN2
SCHEMBL9296950 0.86 NPSR1 (0.70) NPSR1HTTCA12CA4CA7
SCHEMBL3039143 0.85 NPSR1 (0.50) NPSR1ACACBMTNR1AMTNR1BHTT
SCHEMBL13217212 0.83 NQO2 (0.47) NPSR1HTTCA12CA9KDM4E
SCHEMBL12342010 0.82 NPSR1 (0.47) NPSR1ACACBMTNR1AMTNR1BHTT
SCHEMBL17858980 0.78 KCNH2 (0.36) SMN1; SMN2
SCHEMBL14562253 0.78 NPSR1 (0.56) NPSR1MTNR1AMTNR1BHTTCA12
SCHEMBL17115651 0.78 NPSR1 (0.40) NPSR1
SCHEMBL26050179 0.77 CTSS (0.41)
SCHEMBL24016455 0.76 NPSR1 (0.54) NPSR1MTNR1AMTNR1BHTTCA12

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
US-5371097-A Antiulcer agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-12-06 US disclosed
US-5364871-A Antiulcer agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-15 US disclosed
EP-0417751-A2 New thiazole derivatives, processes for the preparation thereof and pharmaceutical compositon comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-03-20 EP disclosed