SCHEMBL18899080

SCHEMBL18899080

NO/C=C\Cc1cc(-c2ncc(C3CC3)c(N)n2)nn1Cc1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 19/20 0.46
▸ GUCY1A2 P33402 19/20 0.46
▸ GUCY1A1 Q02108 19/20 0.46
▸ GUCY1B1 Q02153 19/20 0.46
▸ OPRK1 P41145 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
SCHEMBL18405090 0.81 GUCY1B2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18899190 0.79 GUCY1B2 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL10269525 0.77 GUCY1B2 (0.78) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18899030 0.76 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL23064035 0.75 ALDH1A1 (0.49) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL18405059 0.74 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1OPRK1
SCHEMBL6214026 0.72 BUB1 (0.53) —
SCHEMBL974087 0.70 ADORA3 (0.56) GUCY1A1GUCY1B1
SCHEMBL29378676 0.70 ADORA3 (0.56) GUCY1A1GUCY1B1
SCHEMBL30298890 0.70 ADORA3 (0.56) GUCY1A1GUCY1B1

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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