SCHEMBL8105639

SCHEMBL8105639

CC1(Cc2cccnc2)CC(C(=O)c2ccc(Cl)cc2)CC[N]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ SLC18A3 Q16572 2/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ ACKR3 P25106 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TSHR P16473 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
SCHEMBL8155669 0.80 LMNA (0.47) KMT2AKCNH2MAPTGAALMNA
SCHEMBL8154751 0.78 KCNH2 (0.50) KMT2AKCNH2MAPTLMNATP53
SCHEMBL8149813 0.77 KCNH2 (0.44) KMT2AMAPK1KCNH2ALDH1A1MAPT
SCHEMBL8105863 0.74 ALDH1A1 (0.46) KMT2AMAPK1KCNH2HTTSMN1; SMN2
SCHEMBL8109646 0.74 MGLL (0.43) KMT2AMAPTLMNATP53L3MBTL1
SCHEMBL8096311 0.70 MGLL (0.42) KMT2AMAPTLMNATP53L3MBTL1
SCHEMBL4673293 0.68 SLC18A3 (0.55) KMT2AFNTAFNTBMAPK1SLC18A3
SCHEMBL4673290 0.67 ACKR3 (0.48) FNTAFNTBCHRNB2CHRNA7CHRNA4
SCHEMBL13391389 0.67 TACR3 (0.53) FNTAFNTBMAPK1SLC18A3ACKR3
SCHEMBL6201576 0.65 L3MBTL1 (0.65) KMT2AFNTAFNTBHTTSMN1; SMN2

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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