SCHEMBL11613328

SCHEMBL11613328

C#CC(Cc1ncc(CC)[nH]1)NC(=O)C(C)N

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 3/20 0.32
▸ CTSC P53634 1/20 0.30

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
SCHEMBL11468018 0.79 CTRB1 (0.34) CTRB1
SCHEMBL19225379 0.67 TSHR (0.39) —
SCHEMBL10937092 0.67 HRH1 (0.41) CTRB1
SCHEMBL14037799 0.63 — —
SCHEMBL11511521 0.63 DPP8 (0.41) CTRB1
Bromide SCHEMBL11510961 0.62 DPP8 (0.40) CTRB1
SCHEMBL9012656 0.61 CTRB1 (0.34) CTRB1CTSC
SCHEMBL5795275 0.61 CTRB1 (0.34) CTRB1CTSC
SCHEMBL9012489 0.61 CTRB1 (0.34) CTRB1CTSC
SCHEMBL9012498 0.61 CTRB1 (0.34) CTRB1CTSC

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-4100349-A ANTIHISTAMINES METCALF BRIAN WALTER 1978-07-11 — — US disclosed
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