SCHEMBL21625207

SCHEMBL21625207

CN(C)C1CCN(C(=O)c2nn(-c3ccccc3)c3c2CCc2sccc2-3)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SHMT2 P34897 1/20 0.52
▸ PIK3CD O00329 18/20 0.51
▸ PIK3R2 O00459 18/20 0.51
▸ PIK3CA P42336 18/20 0.51
▸ PIK3CB P42338 18/20 0.51
▸ PIK3CG P48736 18/20 0.51
▸ PIK3R5 Q8WYR1 18/20 0.51
▸ PIK3R3 Q92569 18/20 0.51
▸ L3MBTL3 Q96JM7 1/20 0.41

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
SCHEMBL21625062 0.89 SHMT2 (0.49) SHMT2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL21625122 0.87 PIK3CD (0.53) SHMT2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL21625186 0.86 PIK3CD (0.53) SHMT2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL21625157 0.86 SHMT2 (0.59) SHMT2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL21636256 0.83 SHMT2 (0.56) SHMT2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL21625070 0.83 PIK3CD (0.55) SHMT2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL21625204 0.82 ALDH1A1 (0.56) SHMT2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL21636289 0.82 CNR2 (0.50) SHMT2
SCHEMBL21625184 0.80 SHMT2 (0.49) SHMT2PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL21625145 0.80 L3MBTL1 (0.47) SHMT2PIK3CDPIK3R2PIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020016315-A1 FUSED DIHYDROINDAZOLE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-01-23 — — WO claimed
WO-2020016315-A1 FUSED DIHYDROINDAZOLE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-01-23 — — WO disclosed
WO-2020016315-A1 FUSED DIHYDROINDAZOLE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-01-23 — — WO disclosed
US-9394239-B2 Biphenyl-3-carboxylic acid modulators of beta-3-adrenoreceptor AUSPEX PHARMACEUTICALS, INC. (US) 2016-07-19 — — US disclosed
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