SCHEMBL23334388

SCHEMBL23334388

O=C1NCC(=O)N2CCN(CC3=C(Cc4ccc(-c5ccccc5)cc4)CSC4=CCCC=C43)CC12

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.31

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
SCHEMBL28980928 0.78 DRD2 (0.43) DRD2
SCHEMBL24939944 0.72 PTPN1 (0.35) DRD2
SCHEMBL24152329 0.72 GSK3B (0.50) DRD2
SCHEMBL24939995 0.68 HDAC3 (0.42) —
SCHEMBL30336973 0.66 KMT2A (0.49) —
SCHEMBL24939890 0.66 GSK3A (0.34) —
SCHEMBL24939893 0.65 SMN1; SMN2 (0.36) —
SCHEMBL23334399 0.65 MEN1 (0.36) DRD2
SCHEMBL30336981 0.64 LMNA (0.41) —
SCHEMBL1351210 0.64 DRD2 (0.44) DRD2

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
WO-2021086038-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER COMPRISING SAME 홀로스메딕 주식회사 2021-05-06 — — WO disclosed
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