SCHEMBL2494779

SCHEMBL2494779

COc1cc(-c2nc3ccc(N4CCCN(C(C)C)CC4)cc3c(=O)n2C(C(N)=O)C(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.36
TGFBR1 P36897 2/20 0.34
ACVR1 Q04771 2/20 0.34
ALK Q9UM73 1/20 0.34
ENPP2 Q13822 2/20 0.34
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
ACVR1B P36896 1/20 0.34
ACVRL1 P37023 1/20 0.34
TNIK Q9UKE5 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
IGF1R P08069 2/20 0.33
DRD2 P14416 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL2494781 0.82 AVPR1B (0.52) AVPR1B
SCHEMBL2458842 0.77 AVPR1B (0.41) AVPR1AMAPTPOLBAVPR1BTLR9
SCHEMBL4060343 0.76 HTR1A (0.43) AVPR1ATGFBR1ACVR1ACVRL1AVPR1B
SCHEMBL2461965 0.74 AVPR1B (0.57) AVPR1B
SCHEMBL2461791 0.72 AVPR1B (0.48) AVPR1AAVPR1B
SCHEMBL2462290 0.72 AVPR1B (0.51) AVPR1AAVPR1B
SCHEMBL3452141 0.70 ENPP2 (0.39) TGFBR1ACVR1ENPP2BMPR1BBMPR1A
SCHEMBL2456669 0.70 AVPR1B (0.66) AVPR1B
SCHEMBL2456288 0.69 AVPR1B (0.49) AVPR1AAVPR1B
Acetamide SCHEMBL3452139 0.68 AVPR1B (0.43) AVPR1AENPP2AVPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069315-B1 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES ORGANON NV (NL) 2011-09-07 EP disclosed