SCHEMBL24628147

SCHEMBL24628147

c1ccc(CN2CCN(C3CC4CC3C4)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.58
▸ CXCR3 P49682 1/20 0.54
▸ MC4R P32245 1/20 0.50
▸ DRD4 P21917 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ ACHE P22303 1/20 0.47
▸ CCR3 P51677 2/20 0.46
▸ HSD11B1 P28845 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL18171323 0.89 KDM4E (0.53) SIGMAR1CXCR3MC4RDRD4LMNA
SCHEMBL1143256 0.85 SIGMAR1 (0.60) SIGMAR1CXCR3MC4RDRD4LMNA
SCHEMBL9129298 0.77 SIGMAR1 (0.75) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL1415730 0.76 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL1041303 0.76 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL8188324 0.76 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL2489199 0.76 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL242970 0.76 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL576868 0.76 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL6800130 0.75 SIGMAR1 (0.55) SIGMAR1MC4RDRD4LMNAPOLB

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-2022150461-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE CARAWAY THERAPEUTICS, INC. (US) 2022-07-14 — — WO disclosed
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