SCHEMBL21248811

SCHEMBL21248811

O=Cc1cncc(Br)c1N1CC[C@H](NC(=O)O)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMPD3 Q9NY59 1/20 0.35
▸ OPRK1 P41145 3/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OGFRL1 Q5TC84 1/20 0.35
▸ TRPV1 Q8NER1 2/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ ACKR3 P25106 2/20 0.34
▸ CA12 O43570 4/20 0.33
▸ CA1 P00915 4/20 0.33
▸ CA2 P00918 4/20 0.33
▸ CA4 P22748 4/20 0.33
▸ CA7 P43166 4/20 0.33
▸ CA9 Q16790 4/20 0.33
▸ BTK Q06187 2/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ AKT1 P31749 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32

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
SCHEMBL21248810 1.00 SMPD3 (0.35) SMPD3OPRK1OPRM1OGFRL1TRPV1
SCHEMBL21248794 0.84 PIM1 (0.45) BTKPIM1PIM3JAK3
SCHEMBL21248793 0.84 PIM1 (0.45) BTKPIM1PIM3JAK3
SCHEMBL22976543 0.81 AURKA (0.37) SMPD3OPRK1TRPV1TRPM8ACKR3
SCHEMBL22976542 0.81 AURKA (0.37) SMPD3OPRK1TRPV1TRPM8ACKR3
SCHEMBL22976573 0.80 SSTR2 (0.47) SMPD3FFAR4
SCHEMBL22976575 0.80 SSTR2 (0.47) SMPD3FFAR4
SCHEMBL16694846 0.76 CYP3A4 (0.39) OPRK1
SCHEMBL16504982 0.75 AKT1 (0.41) SMPD3ACKR3CA12CA1CA2
SCHEMBL31302406 0.73 CYP3A4 (0.48) SMPD3TRPV1CA12CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752498-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2020-12-23 — — EP disclosed
WO-2019157458-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2019-08-15 — — WO disclosed
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