SCHEMBL23812935

SCHEMBL23812935

O=C(NC1CCCCC1)c1cnc2cc(N3CCC3)ccc2c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 19/20 0.64
BMPR1B O00238 1/20 0.53
BMPR1A P36894 1/20 0.53
TGFBR1 P36897 1/20 0.53
ACVRL1 P37023 1/20 0.53
ACVR1 Q04771 1/20 0.53

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
SCHEMBL18987589 0.87 HPGDS (0.75) HPGDS
SCHEMBL18987592 0.87 HPGDS (0.75) HPGDS
SCHEMBL19021633 0.86 HPGDS (0.47) HPGDSBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL23813028 0.80 HPGDS (0.53) HPGDS
SCHEMBL531094 0.79 HPGDS (0.72) HPGDS
SCHEMBL23812943 0.78 HPGDS (1.00) HPGDS
SCHEMBL15681572 0.78 TERT (0.56)
SCHEMBL19020049 0.78 HPGDS (0.53) HPGDSBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL19020865 0.76 HPGDS (0.76) HPGDS
SCHEMBL5047611 0.75 HPGDS (0.61) HPGDS

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-3390384-B1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2021-09-15 EP disclosed