SCHEMBL8948085

SCHEMBL8948085

Cc1cc2c(-c3ccccc3)c(C=O)n(C)c(=O)c2cc1C

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.52
BRD4 O60885 1/20 0.43
DPP4 P27487 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
CRHBP P24387 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9763498 0.84 LMNA (0.46) TACR1BRD4DPP4TDP1MEN1
SCHEMBL8948081 0.77 TACR1 (0.50) TACR1DPP4
SCHEMBL8948086 0.77 TACR1 (0.50) TACR1DPP4
SCHEMBL8785208 0.77 TACR1 (0.56) TACR1
SCHEMBL5236388 0.75 DPP4 (0.70) TACR1DPP4
SCHEMBL8785003 0.75 TACR1 (0.58) TACR1DPP4MEN1KMT2ASMN1; SMN2
SCHEMBL8947990 0.74 TACR1 (0.47) TACR1BRD4DPP4TDP1MEN1
SCHEMBL8947993 0.73 DPP4 (0.71) TACR1DPP4
SCHEMBL8785566 0.73 TACR1 (0.56) TACR1DPP4KMT2ASMN1; SMN2
SCHEMBL8784483 0.73 TACR1 (0.56) TACR1DPP4

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-5527811-A CALCIUM- AND SUBSTANCE P RECEPTOR-ANTAGONIST ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-06-18 US disclosed
EP-0634402-A1 Isochinolinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1995-01-18 EP disclosed