SCHEMBL18098658

SCHEMBL18098658

C[C@@H]1c2ccccc2C[C@H]1N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC9A3 P48764 16/20 0.49
▸ CHRNA7 P36544 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ CYP2D6 P10635 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ OPRK1 P41145 1/20 0.43

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
SCHEMBL13457953 1.00 SLC9A3 (0.49) SLC9A3CHRNA7TSHRCYP2D6OPRM1
SCHEMBL13458177 0.85 ACHE (0.46) SLC9A3OPRM1
SCHEMBL27926169 0.79 SLC9A3 (0.48) SLC9A3CHRNA7TSHRCYP2D6OPRM1
SCHEMBL12362862 0.79 HTR1A (0.54) SLC9A3CHRNA7TSHR
SCHEMBL8165904 0.79 HTR1A (0.54) SLC9A3CHRNA7TSHR
SCHEMBL27203809 0.79 SLC9A3 (0.49) SLC9A3CHRNA7TSHRCYP2D6OPRM1
SCHEMBL8165906 0.79 HTR1A (0.54) SLC9A3CHRNA7TSHR
SCHEMBL28806320 0.79 SLC9A3 (0.48) SLC9A3CHRNA7TSHRCYP2D6OPRM1
SCHEMBL9813868 0.78 SLC9A3 (0.47) SLC9A3CHRNA7CYP2D6
SCHEMBL7951400 0.78 SLC9A3 (0.47) SLC9A3CHRNA7CYP2D6

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-2342178-B1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI SA (FR) 2016-09-28 — — EP disclosed
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