SCHEMBL21393372

SCHEMBL21393372

C[C@@H]1CO[C@@H](c2ccc(F)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
TSHR P16473 1/20 0.39
BACE1 P56817 1/20 0.36
SLC6A2 P23975 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
SLC6A4 P31645 2/20 0.35
HTR2B P41595 2/20 0.35
SLC6A3 Q01959 2/20 0.35
MAOB P27338 5/20 0.35
FADS1 O60427 1/20 0.34
TRPA1 O75762 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL21363715 1.00 KDM1A (0.39) KDM1ATSHRBACE1SLC6A2HTR2A
SCHEMBL12754472 0.83 TSHR (0.38) KDM1ATSHRMAOBFADS1ATM
SCHEMBL19090156 0.81 BACE1 (0.38) KDM1ABACE1SLC6A2HTR2AHTR2C
SCHEMBL1505987 0.81 TSHR (0.56) KDM1ATSHRSLC6A2HTR2AHTR2C
SCHEMBL1505907 0.81 TSHR (0.56) KDM1ATSHRSLC6A2HTR2AHTR2C
SCHEMBL937356 0.81 TSHR (0.56) KDM1ATSHRSLC6A2HTR2AHTR2C
SCHEMBL21363517 0.81 CHRNA7 (0.41) TSHRSLC6A2HTR2AHTR2CSLC6A4
SCHEMBL21363398 0.81 CHRNA7 (0.41) TSHRSLC6A2HTR2AHTR2CSLC6A4
SCHEMBL17172100 0.81 CHRNA7 (0.41) TSHRSLC6A2HTR2AHTR2CSLC6A4
SCHEMBL17150950 0.80 TSHR (0.64) TSHRSLC6A2HTR2BSLC6A3

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
WO-2019182925-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-26 WO disclosed