SCHEMBL7467909

SCHEMBL7467909

O=C(N1CCNCC1c1ccc(F)cc1)N1CCNCC1c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.54
DPP7 Q9UHL4 1/20 0.54
TACR1 P25103 8/20 0.47
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL3314580 0.89 DPP4 (0.53) DPP4DPP7TACR1HTR2AHTR2C
SCHEMBL7749807 0.85 RIPK1 (0.46) DPP4DPP7TAAR1HTR2AHTR2C
SCHEMBL7464685 0.82 USP19 (0.46) HTR2AHTR2CHTR2B
SCHEMBL25913721 0.81 DPP4 (0.47) DPP4DPP7TACR1
SCHEMBL3697218 0.81 DPP4 (0.47) DPP4DPP7TACR1
SCHEMBL5419310 0.80 DPP4 (0.46) DPP4DPP7TACR1CCNCCDK8
SCHEMBL5480616 0.80 DPP4 (0.46) DPP4DPP7TACR1CCNCCDK8
SCHEMBL16644644 0.79 SLC6A9 (0.60)
SCHEMBL19305170 0.77 DPP4 (0.43) DPP4DPP7TACR1CCNCCDK8
SCHEMBL5411381 0.77 DPP4 (0.43) DPP4DPP7TACR1CCNCCDK8

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
CN-103313982-A Phenyl-isoxazole derivatives and process for the preparation thereof IL YANG PHARM CO LTD 2013-09-18 CN claimed
CN-103313982-A Phenyl-isoxazole derivatives and process for the preparation thereof IL YANG PHARM CO LTD 2013-09-18 CN disclosed
EP-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed