SCHEMBL31607750

SCHEMBL31607750

CCOC(=O)c1cc2c(n1C)CCN(CCNC(=O)OC(C)(C)C)C2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 14/20 0.41
▸ SIGMAR1 Q99720 2/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ CACNA1H O95180 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL30782338 0.81 TNF (0.46) DRD2SIGMAR1DRD3POLBMEN1
SCHEMBL31607726 0.80 TNF (0.39) DRD2POLBMEN1KMT2A
SCHEMBL976417 0.80 ADORA1 (0.48) POLBMEN1TP53KMT2A
SCHEMBL31607756 0.80 DRD2 (0.41) DRD2SIGMAR1DRD3CACNA1HMEN1
SCHEMBL27139330 0.79 HDAC6 (0.42) DRD2SIGMAR1DRD3POLBMEN1
SCHEMBL12922709 0.76 KDM4E (0.43) POLBMEN1ALOX15KMT2A
SCHEMBL30945677 0.74 DRD2 (0.65) DRD2SIGMAR1POLBMEN1TP53
Hydrochloric Acid SCHEMBL11184859 0.74 CHRM2 (0.39) POLBMEN1ALOX15KMT2A
SCHEMBL27140818 0.73 DRD2 (0.44) DRD2SIGMAR1CACNA1HMEN1KMT2A
SCHEMBL978771 0.73 ADORA1 (0.48) POLBMEN1TP53KMT2A

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
CN-120091998-A Substituted bicyclic rings as HSET inhibitors 默克专利股份公司 2025-06-03 — — CN disclosed
Send feedback