SCHEMBL30486552

SCHEMBL30486552

OCN1CCC2(CC1)Cc1cccnc1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.38
CHRM2 P08172 2/20 0.36
KCNH2 Q12809 2/20 0.35
CCR8 P51685 1/20 0.35
OPRL1 P41146 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
AVPR1A P37288 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
SPR P35270 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 2/20 0.32
CYP2C19 P33261 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL22958207 0.83 TSHR (0.36) SIGMAR1CHRM2KCNH2HRH3AVPR1A
SCHEMBL27454475 0.81 AVPR1A (0.35) SIGMAR1AVPR1ASPRALDH1A1HPGD
SCHEMBL30486670 0.81 AVPR1A (0.35) SIGMAR1AVPR1ASPRALDH1A1HPGD
SCHEMBL29930648 0.79 SPR (0.42) CHRM2HRH3SPRALDH1A1HPGD
SCHEMBL23509314 0.78 GRIN2D (0.41) CHRM2KCNH2AVPR1AALDH1A1HPGD
SCHEMBL27454457 0.78 AVPR1A (0.33) AVPR1AALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL22402165 0.78 CYP2D6 (0.41) KCNH2CCR8OPRL1HRH3AVPR1A
SCHEMBL30486564 0.78 HSD17B10 (0.33) AVPR1AALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL22402166 0.76 DPP8 (0.37) KCNH2CCR8HRH3AVPR1AALDH1A1
SCHEMBL21852080 0.74 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10SMN1; SMN2CYP2C19

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
EP-4448526-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS GENZYME CORPORATION (US) 2024-10-23 EP disclosed
WO-2023114954-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS GENZYME CORPORATION (US) 2023-06-22 WO disclosed