SCHEMBL23536148

SCHEMBL23536148

O=C(O)[C@H]1CCC12CCNCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
PMP22 Q01453 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43
GABRQ Q9UN88 1/20 0.43
SLC6A1 P30531 2/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL8514155 1.00 TSHR (0.43) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL3712658 0.88 TSHR (0.40) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL31175630 0.81 KDM4E (0.38) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL1709272 0.80 HRH3 (0.45) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL23797246 0.80 HRH3 (0.45) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL22616173 0.80 HRH3 (0.45) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL11637297 0.79 SLC1A2 (0.39) TSHRSLC6A1LMNASLC6A11SMN1; SMN2
Hydrochloric Acid SCHEMBL11639733 0.77 SLC1A2 (0.38) TSHRSLC6A1LMNASLC6A11SMN1; SMN2
SCHEMBL1033600 0.76 TSHR (0.37) TSHRGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL7972549 0.76 SLC1A2 (0.37) TSHRSLC6A1LMNASLC6A11SMN1; SMN2

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-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed