SCHEMBL19670253

SCHEMBL19670253

CCN1CC[C@@H](C)N(C(=O)Nc2ccc3c(cnn3C)c2)c2nc(-c3cccc(C#N)c3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MLLT1 Q03111 6/20 0.38
▸ KDM1A O60341 5/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ CACNA1H O95180 1/20 0.36
▸ MLLT3 P42568 1/20 0.36
▸ MLNR O43193 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35

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
SCHEMBL19670593 0.88 JAK1 (0.38) MLNRCNR1
SCHEMBL19670251 0.87 MLLT1 (0.39) MLLT1CREBBPMLLT3CNR1TRPV1
SCHEMBL19670225 0.87 MLLT1 (0.38) MLLT1CREBBPMLLT3TRPV1MAOA
SCHEMBL19670386 0.85 CACNA1H (0.37) MLLT1CREBBPCACNA1HMLLT3NOTUM
SCHEMBL19670388 0.85 CACNA1G (0.46) CACNA1H
SCHEMBL17618483 0.83 KDM1A (0.37) KDM1ACREBBPMLNRCNR1MAOA
SCHEMBL19670174 0.83 HDAC2 (0.39) CACNA1HMLNR
SCHEMBL19670170 0.82 BRAF (0.40) CREBBPCACNA1HCNR1
SCHEMBL19670172 0.82 ADORA2A (0.37) MLNR
SCHEMBL19670252 0.81 THRB (0.38) CACNA1HMLNR

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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