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SCHEMBL9494295

SCHEMBL9494295

O=C1NC(=NC2CCCCC2)C2(CCN(Cc3ccccc3)CC2)N1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 6/20 1.00
▸ BACE2 Q9Y5Z0 1/20 0.62
▸ OPRL1 P41146 5/20 0.48
▸ OPRM1 P35372 3/20 0.48
▸ OPRD1 P41143 3/20 0.48
▸ OPRK1 P41145 3/20 0.48
▸ MCHR1 Q99705 2/20 0.45
▸ CCR5 P51681 2/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM3 P20309 1/20 0.40

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
SCHEMBL9495770 0.77 MCHR1 (0.65) BACE1OPRL1OPRM1OPRD1OPRK1
SCHEMBL10148843 0.75 BACE1 (0.60) BACE1OPRL1OPRM1OPRD1OPRK1
SCHEMBL10148844 0.75 BACE1 (0.60) BACE1OPRL1OPRM1OPRD1OPRK1
SCHEMBL592802 0.70 BACE1 (0.54) BACE1OPRL1OPRM1OPRD1OPRK1
SCHEMBL660567 0.70 MCHR1 (0.57) BACE1OPRL1OPRM1OPRD1OPRK1
SCHEMBL8812119 0.70 MCHR1 (0.57) BACE1OPRL1OPRM1OPRD1OPRK1
SCHEMBL8435318 0.69 GAA (0.55) BACE1
SCHEMBL2993642 0.69 OPRL1 (0.55) BACE1OPRL1OPRM1OPRD1OPRK1
SCHEMBL7841441 0.68 MCHR1 (0.59) BACE1OPRL1OPRM1OPRD1OPRK1
SCHEMBL8209542 0.68 BACE1 (0.67) BACE1BACE2OPRL1OPRM1OPRD1

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
US-5221675-A Aza-spirocyclic compounds that enhance cholinergic neurotransmission ABBOTT LABORATORIES (US) 1993-06-22 — — US disclosed