SCHEMBL29522706

SCHEMBL29522706

CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
GRM5 P41594 7/20 0.57
BTK Q06187 1/20 0.54
POLB P06746 1/20 0.53
OPRK1 P41145 1/20 0.49
SSTR3 P32745 1/20 0.48
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL4167585 0.90 NPC1 (0.60) NPC1RAB9APOLBSSTR3KMT2A
SCHEMBL24512806 0.90 NPC1 (0.60) NPC1RAB9APOLBSSTR3KMT2A
SCHEMBL16013864 0.89 BTK (0.56) NPC1RAB9AGRM5BTKKMT2A
SCHEMBL24512801 0.87 BTK (0.60) GRM5BTKKMT2AL3MBTL1HPGD
SCHEMBL24513514 0.86 GRM5 (0.61) NPC1RAB9AGRM5BTKKMT2A
SCHEMBL31703998 0.85 NPC1 (0.46) NPC1RAB9AGRM5BTKPOLB
SCHEMBL7205713 0.81 BTK (0.78) BTKKMT2AL3MBTL1
SCHEMBL7210932 0.81 BTK (0.78) BTKKMT2AL3MBTL1
SCHEMBL14502820 0.81 BTK (0.78) BTKKMT2AL3MBTL1
SCHEMBL7212396 0.81 BTK (0.78) BTKKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4499632-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2025-02-05 EP disclosed
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
EP-4217345-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2023-08-02 EP disclosed
WO-2022067094-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2022-03-31 WO disclosed