SCHEMBL29931978

SCHEMBL29931978

C[C@@H]1CN(CC2CCN(c3c(F)cccc3NS(=O)(=O)c3ccc(C(F)(F)C4CC4)cc3)CC2)C[C@H](C)O1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MCOLN2 Q8IZK6 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CXCR2 P25025 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD11B1 P28845 1/20 0.33
KMO O15229 1/20 0.33
LMNA P02545 1/20 0.33
HTR1A P08908 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
GHSR Q92847 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
SCHEMBL23536384 1.00 CRHBP (0.34) CRHBPCRHR2MCOLN2KMT2ASMN1; SMN2
SCHEMBL23555092 0.88 MCOLN2 (0.36) MCOLN2KMT2ACXCR2KMOLMNA
SCHEMBL29932095 0.88 LMNA (0.40) MCOLN2KMT2AALDH1A1LMNAGHSR
SCHEMBL28867429 0.86 MCOLN2 (0.34) MCOLN2KMT2ACXCR2ALDH1A1KMO
SCHEMBL29931826 0.86 SLC22A12 (0.39) KMT2ACXCR2ALDH1A1SLC40A1
SCHEMBL23536204 0.86 ALDH1A1 (0.41) MCOLN2KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL23536479 0.86 MCOLN2 (0.48) MCOLN2KMT2AALDH1A1KMOLMNA
SCHEMBL29932183 0.86 ALDH1A1 (0.41) MCOLN2KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL23536230 0.84 MCOLN2 (0.39) MCOLN2KMT2ACXCR2ALDH1A1KMO
SCHEMBL23555120 0.84 MCOLN2 (0.37) MCOLN2KMT2ACXCR2KMOGHSR

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
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed