Sugi Predict

Sugi Predict / Compounds / SCHEMBL4428221

SCHEMBL4428221

SCHEMBL4428221

CC1c2sc(OC(=O)O)cc2CCN1C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ AKR1C3 P42330 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
SCHEMBL13372899 0.86 MAOA (0.39) MAOASMN1; SMN2ALDH1A1
SCHEMBL4432464 0.82 DRD1 (0.33) SMN1; SMN2
SCHEMBL13372740 0.81 KCNN2 (0.34) ALDH1A1
SCHEMBL3308872 0.78 MAOA (0.43) MAOAALDH1A1
SCHEMBL3308910 0.78 MAOA (0.43) MAOAALDH1A1
SCHEMBL4433208 0.74 ABCB11 (0.36) MAOAALDH1A1
SCHEMBL4433993 0.71 PARP1 (0.41) MAOAALDH1A1
SCHEMBL3308280 0.71 MAOA (0.44) MAOAALDH1A1
SCHEMBL8021428 0.71 MAOA (0.44) MAOAALDH1A1
SCHEMBL4430914 0.69 ALDH1A1 (0.32) ALDH1A1AKR1C3

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-2132193-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS Boehringer Ingelheim International GmbH (DE) 2009-12-16 — — EP disclosed
WO-2008116881-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-02 — — WO disclosed