SCHEMBL2107845

SCHEMBL2107845

CN1CCC(NC(=O)C(Cc2ccc(F)cc2)NC(=O)c2cc3cc(Cl)ncc3[nH]2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP51A1 Q16850 8/20 0.53
PYGL P06737 7/20 0.53
PYGM P11217 1/20 0.53
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
AVPR1A P37288 2/20 0.41
DYRK1A Q13627 1/20 0.41
OXTR P30559 1/20 0.41

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
SCHEMBL2109016 0.93 PYGL (0.53) CYP51A1PYGLPYGMAVPR1AOXTR
SCHEMBL2606797 0.93 PYGL (0.53) CYP51A1PYGLPYGMAVPR1AOXTR
SCHEMBL2606950 0.91 PYGL (0.52) CYP51A1PYGLPYGMALDH1A1AVPR1A
SCHEMBL2606947 0.91 PYGL (0.52) CYP51A1PYGLPYGMALDH1A1AVPR1A
SCHEMBL2606894 0.90 PYGL (0.51) CYP51A1PYGLPYGMALDH1A1AVPR1A
SCHEMBL2606896 0.90 PYGL (0.51) CYP51A1PYGLPYGMAVPR1AOXTR
SCHEMBL2608587 0.89 CYP51A1 (0.51) CYP51A1PYGLPYGMRAB9AALDH1A1
SCHEMBL2607006 0.89 PYGL (0.50) CYP51A1PYGLPYGMAVPR1AOXTR
SCHEMBL2607191 0.88 CYP51A1 (0.51) CYP51A1PYGLPYGMRAB9AALDH1A1
SCHEMBL2108267 0.87 CYP51A1 (0.62) CYP51A1PYGLPYGMRAB9A

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-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 US disclosed