SCHEMBL8105641

SCHEMBL8105641

CC(c1cccnc1)N1CCC(C(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.49
▸ CYP3A5 P20815 3/20 0.49
▸ MGLL Q99685 10/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ACKR3 P25106 2/20 0.46

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
SCHEMBL13391737 0.82 MGLL (0.52) MGLLMEN1KMT2A
SCHEMBL14356016 0.82 MGLL (0.52) MGLLMEN1KMT2A
SCHEMBL17244098 0.82 ACKR3 (0.48) CYP3A4CYP3A5ACKR3
SCHEMBL13391712 0.78 MGLL (0.52) MGLLMEN1KMT2A
SCHEMBL14356018 0.78 MGLL (0.52) MGLLMEN1KMT2A
SCHEMBL28188447 0.73 SLC18A3 (0.54) CYP3A4MGLLACKR3
SCHEMBL9535683 0.73 KCNH2 (0.45) CYP3A4MGLLMEN1KMT2ALMNA
SCHEMBL28188448 0.71 SLC18A3 (0.52) MGLLACKR3
SCHEMBL211238 0.71 CYP3A4 (0.52) CYP3A4CYP3A5
SCHEMBL4673293 0.71 SLC18A3 (0.55) KMT2AACKR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 — — US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 — — US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 — — US disclosed
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