SCHEMBL26388951

SCHEMBL26388951

CC(C)(C)OC(=O)N1CCC[C@H](n2cc(I)cn2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 1/20 0.43
KDR P35968 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
MPO P05164 1/20 0.43
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
FPR2 P25090 1/20 0.42
HPGDS O60760 1/20 0.41
HCAR1 Q9BXC0 1/20 0.41
USP30 Q70CQ3 2/20 0.41
GPR119 Q8TDV5 2/20 0.39
PREP P48147 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
BACE1 P56817 2/20 0.39
CTSD P07339 1/20 0.39

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
SCHEMBL16899840 1.00 FGFR3 (0.43) FGFR3KDRDDB1CRBNMPO
SCHEMBL16267942 0.93 DDB1 (0.49) DDB1CRBNMPOHPGDUSP30
SCHEMBL26388949 0.93 DDB1 (0.49) DDB1CRBNMPOHPGDUSP30
SCHEMBL985090 0.88 MPO (0.46) DDB1CRBNMPOUSP30GPR119
SCHEMBL1703079 0.86 KDM5A (0.47) FGFR3KDRDDB1CRBNHPGD
SCHEMBL1703633 0.86 KDM5A (0.47) FGFR3KDRDDB1CRBNHPGD
SCHEMBL16899765 0.86 FPR2 (0.48) FGFR3KDRDDB1CRBNHPGD
SCHEMBL1425547 0.86 FPR2 (0.48) FGFR3KDRDDB1CRBNHPGD
SCHEMBL1425994 0.86 FPR2 (0.48) FGFR3KDRDDB1CRBNHPGD
SCHEMBL1703077 0.86 KDM5A (0.47) FGFR3KDRDDB1CRBNHPGD

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
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