SCHEMBL18899458

SCHEMBL18899458

NC1=CC=NC(c2cc(-c3cocn3)n(Cc3ccccc3F)n2)N1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 17/20 0.40
▸ GUCY1A2 P33402 17/20 0.40
▸ GUCY1A1 Q02108 17/20 0.40
▸ GUCY1B1 Q02153 17/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ ADORA2A P29274 2/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL15068996 0.75 GUCY1B2 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15069147 0.73 GUCY1B2 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15068684 0.72 GUCY1B2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL3436839 0.72 GUCY1B2 (0.74) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL27987802 0.72 P2RY14 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15087441 0.68 GUCY1B2 (0.56) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL15069268 0.67 ALDH1A1 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL4561849 0.64 GUCY1B2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL5019645 0.63 GUCY1B2 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL5019644 0.63 GUCY1B2 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1

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
EP-3173407-A1 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2017-05-31 — — EP disclosed
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