SCHEMBL16637941

SCHEMBL16637941

Cc1ccccc1CCn1c(=O)c2c(C)c(C(=O)N3CCC(CC(=O)O)CC3)sc2n(CCC(F)(F)F)c1=O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 16/20 0.59
ADORA2A P29274 1/20 0.59
ADORA1 P30542 1/20 0.59
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 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
SCHEMBL16637974 0.91 ADORA2B (0.73) ADORA2BADORA2AADORA1ACACBACACA
SCHEMBL16637581 0.87 ADORA2B (0.57) ADORA2BADORA2AADORA1ACACBACACA
SCHEMBL16643999 0.87 ADORA2B (0.59) ADORA2BADORA2AADORA1ACACBACACA
SCHEMBL16637279 0.87 ADORA2B (0.60) ADORA2BADORA2AADORA1ACACBACACA
SCHEMBL16637512 0.87 ADORA2B (0.58) ADORA2BADORA2AADORA1ACACBACACA
SCHEMBL16637831 0.86 ADORA2B (0.68) ADORA2BADORA2AADORA1ACACBACACA
SCHEMBL19611081 0.86 ADORA2B (0.59) ADORA2BADORA2AADORA1ACACBACACA
SCHEMBL16637751 0.86 ADORA2B (0.59) ADORA2BADORA2AADORA1ACACBACACA
SCHEMBL19611095 0.86 ADORA2B (0.61) ADORA2BADORA2AADORA1ACACBACACA
SCHEMBL16637814 0.86 ADORA2B (0.57) ADORA2BADORA2AADORA1ACACBACACA

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
EP-3055313-B1 CYCLIC THIENOURACIL CARBOXAMIDE AND ITS USE Bayer Pharma AG (DE) 2017-11-22 EP disclosed
EP-3055313-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2016-08-17 EP disclosed
WO-2015052065-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-16 WO disclosed