SCHEMBL12717012

SCHEMBL12717012

Cc1cc2ccccc2n1C1CC2COCC(C1)N2

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 19/20 0.35

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
SCHEMBL13926744 0.87 HTR4 (0.40) —
SCHEMBL1573540 0.77 CCR5 (0.44) —
SCHEMBL1573991 0.77 CCR5 (0.44) —
SCHEMBL16103839 0.75 OPRM1 (0.44) —
SCHEMBL27739489 0.71 TP53 (0.46) —
SCHEMBL21983715 0.70 CYP2A6 (0.34) —
SCHEMBL8531640 0.69 HTR2A (0.43) —
SCHEMBL28754260 0.69 TSHR (0.33) —
SCHEMBL27781705 0.68 HTR6 (0.43) —
SCHEMBL31055045 0.66 TSHR (0.35) —

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-1140085-B1 AZABICYCLOALKANES AS CCR5 MODULATORS PHIVCO UK LTD (GB) 2011-04-13 — — EP disclosed
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