SCHEMBL9023769

SCHEMBL9023769

COC(=O)CCN(C(=O)OC(C)(C)C)N1CCC(C(=O)N2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.43
ITGB3 P05106 7/20 0.43
ITGA2B P08514 7/20 0.43
CHRM1 P11229 2/20 0.40
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL9023476 0.92 ITGB3 (0.44) LSSITGB3ITGA2BCHRM1MMP2
SCHEMBL9023634 0.88 LSS (0.47) LSSITGB3ITGA2BCHRM1MMP2
Hydrochloric Acid SCHEMBL9023223 0.87 LSS (0.46) LSSITGB3ITGA2BCHRM1MMP2
SCHEMBL9023517 0.84 ITGB3 (0.48) LSSITGB3ITGA2BCHRM1MMP2
SCHEMBL9024381 0.80 ITGB3 (0.47) LSSITGB3ITGA2BCHRM1MMP2
Hydrochloric Acid SCHEMBL9024801 0.79 ITGB3 (0.46) LSSITGB3ITGA2BCHRM1MMP2
SCHEMBL9023827 0.79 LSS (0.48) LSSITGB3ITGA2BSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL9023730 0.78 ITGB3 (0.55) LSSITGB3ITGA2BCHRM1MMP2
Hydrochloric Acid SCHEMBL9023920 0.77 ITGB3 (0.48) LSSITGB3ITGA2BCHRM1MMP2
Hydrochloric Acid SCHEMBL9058256 0.77 ITGB3 (0.60) LSSITGB3ITGA2BCHRM1MMP2

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-0718287-A2 Piperazine derivatives, medicaments containing them, their use, and processes for their preparation Dr. Karl Thomae GmbH (DE) 1996-06-26 EP disclosed