SCHEMBL31203157

SCHEMBL31203157

O=C(NC1CC2(CCC2)C1)c1ccc(F)c2ccn(Cc3ccc(OC4CCOCC4)cc3)c12

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.40
▸ CNR1 P21554 4/20 0.40
▸ S1PR3 Q99500 2/20 0.39
▸ P2RX3 P56373 6/20 0.38
▸ LIPG Q9Y5X9 1/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.37

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
SCHEMBL31203180 0.93 CNR2 (0.42) CNR2CNR1S1PR3HRH3
SCHEMBL31203184 0.93 CNR2 (0.42) CNR2CNR1S1PR3HRH3
SCHEMBL21485562 0.91 S1PR3 (0.40) CNR2CNR1S1PR3P2RX3LIPG
SCHEMBL21458146 0.91 S1PR3 (0.40) CNR2CNR1S1PR3P2RX3LIPG
SCHEMBL31203437 0.90 CNR2 (0.43) CNR2CNR1
SCHEMBL21485567 0.86 S1PR3 (0.41) CNR2CNR1S1PR3P2RX3LIPG
SCHEMBL24992157 0.85 CNR1 (0.40) CNR2CNR1S1PR3HRH3
SCHEMBL31203159 0.85 CNR2 (0.40) CNR2CNR1
SCHEMBL21458130 0.85 PTGER4 (0.39) CNR2CNR1S1PR3HRH3
SCHEMBL21485549 0.85 CNR1 (0.41) CNR2CNR1S1PR3HRH3

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-3781550-B1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF TEMPEST THERAPEUTICS INC (US) 2024-10-30 — — EP claimed
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