SCHEMBL13315643

SCHEMBL13315643

N[C@H](Cc1ccccc1)CN1CCOCC1C(=O)Nc1cc(Cl)cc2c1[nH]c1cnccc12

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 14/20 0.50
▸ ICOSLG O75144 11/20 0.48
▸ ICOS Q9Y6W8 11/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ IKBKB O14920 1/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PIM3 Q86V86 1/20 0.46
▸ IKBKG Q9Y6K9 1/20 0.46
▸ F2 P00734 1/20 0.40

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
SCHEMBL1797524 1.00 CHUK (0.50) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL1795262 0.88 ICOSLG (0.54) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL1799170 0.88 ICOSLG (0.54) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL13315639 0.88 ICOSLG (0.54) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL1802229 0.88 ICOSLG (0.54) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL13315641 0.88 ICOSLG (0.54) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL13847822 0.85 CHUK (0.54) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL13847505 0.85 ICOSLG (0.55) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL1800321 0.84 ICOSLG (0.54) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL12619321 0.84 ICOSLG (0.54) CHUKICOSLGICOSMEN1IKBKB

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
US-7727985-B2 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 — — US disclosed
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