SCHEMBL3967461

SCHEMBL3967461

O=C(N1C2CCC1CC(=C1c3ccccc3Oc3cc(C4=NOS(=O)N4)ccc31)C2)C(F)(F)F

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL3963903 0.81 SETD7 (0.30) —
SCHEMBL3965157 0.79 — —
SCHEMBL3964400 0.79 DPP4 (0.39) —
SCHEMBL3966059 0.78 PARP1 (0.33) —
SCHEMBL3965271 0.78 DPP4 (0.31) —
SCHEMBL3965754 0.78 AHR (0.34) —
SCHEMBL3963585 0.78 ABCC9 (0.37) —
SCHEMBL3961355 0.78 BDKRB1 (0.36) —
SCHEMBL3966628 0.76 HSD17B1 (0.37) —
SCHEMBL3969110 0.76 F10 (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS DAX SCOTT 2009-11-26 — — US disclosed
US-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS DAX SCOTT 2009-11-26 — — US disclosed
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 — — US disclosed
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 — — US disclosed
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 — — US disclosed
US-20060030585-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-09 — — US disclosed
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