SCHEMBL23536340

SCHEMBL23536340

Cc1ccc([S@+]([O-])c2ccccc2N2CCC(c3ccc(Cl)cc3F)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.37
GRM2 Q14416 9/20 0.36
DRD4 P21917 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL28867485 1.00 OPRL1 (0.37) OPRL1GRM2DRD4GPBAR1MEN1
SCHEMBL23535993 0.86 GPR55 (0.38) GRM2MEN1KMT2A
SCHEMBL28867507 0.83 OPRL1 (0.37) OPRL1GRM2DRD4GPBAR1MEN1
SCHEMBL23536038 0.83 OPRL1 (0.37) OPRL1GRM2DRD4GPBAR1MEN1
SCHEMBL29931842 0.83 MEN1 (0.33) OPRL1MEN1KMT2A
SCHEMBL29931988 0.79 SMN1; SMN2 (0.36) OPRL1GRM2
SCHEMBL23536112 0.78 POLB (0.42) GRM2MEN1KMT2A
SCHEMBL29948574 0.78 POLB (0.42) GRM2MEN1KMT2A
SCHEMBL23536205 0.77 HTR1A (0.51)
SCHEMBL29932303 0.77 HTR1A (0.51)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed