SCHEMBL30439617

SCHEMBL30439617

Cc1nn2c(C(F)(F)F)c(C(=O)N[C@H]3CCc4ccccc43)cnc2c1Br

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.45
▸ SPR P35270 2/20 0.45
▸ TAS1R3 Q7RTX0 6/20 0.44
▸ TAS1R1 Q7RTX1 6/20 0.44
▸ TAS1R2 Q8TE23 6/20 0.44
▸ POLB P06746 1/20 0.42
▸ HPGDS O60760 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ PDE10A Q9Y233 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ KDM4E B2RXH2 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
SCHEMBL20768128 1.00 PDE2A (0.55) PDE2AALDH1A1SPRTAS1R3TAS1R1
SCHEMBL20768129 1.00 PDE2A (0.55) PDE2AALDH1A1SPRTAS1R3TAS1R1
SCHEMBL19492653 0.88 PDE2A (0.57) PDE2AALDH1A1SPRTAS1R3TAS1R1
SCHEMBL20768137 0.88 PDE2A (0.57) PDE2AALDH1A1SPRTAS1R3TAS1R1
SCHEMBL20768127 0.85 PDE2A (0.55) PDE2AALDH1A1SPRTAS1R3TAS1R1
SCHEMBL19463255 0.85 PDE2A (0.55) PDE2AALDH1A1SPRTAS1R3TAS1R1
SCHEMBL19492490 0.83 TAS1R3 (0.54) PDE2AALDH1A1SPRTAS1R3TAS1R1
SCHEMBL19492489 0.83 TAS1R3 (0.54) PDE2AALDH1A1SPRTAS1R3TAS1R1
SCHEMBL19463266 0.80 TAS1R3 (0.52) PDE2AALDH1A1SPRTAS1R3TAS1R1
SCHEMBL19463267 0.80 TAS1R3 (0.52) PDE2AALDH1A1SPRTAS1R3TAS1R1

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-3442974-B1 PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2023-06-07 — — EP disclosed
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