SCHEMBL30977494

SCHEMBL30977494

COc1cc(CC(F)(F)F)c(F)cc1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.40
SLC16A1 P53985 1/20 0.40
ACHE P22303 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NR3C1 P04150 5/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
KDM1A O60341 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL30977513 0.79 HTT (0.43) SLC16A3SLC16A1ACHEKDM4EGAA
SCHEMBL30977574 0.79 ACHE (0.41) SLC16A3SLC16A1ACHEKDM4EGAA
SCHEMBL30977503 0.79 HTR2A (0.41) SLC16A3SLC16A1ACHEKDM4EGAA
SCHEMBL30977595 0.75 L3MBTL1 (0.35) ACHEKDM4EMAPTNR3C1POLB
SCHEMBL30977350 0.71 ACHE (0.36) SLC16A3SLC16A1ACHEKDM4EGAA
SCHEMBL30977578 0.70 TSHR (0.37) ACHEKDM4EGAAMAPTNR3C1
SCHEMBL30977509 0.69 L3MBTL1 (0.39) ACHEMAPTNR3C1TSHRL3MBTL1
SCHEMBL11777003 0.69 ALDH1A1 (0.49) KDM4EGAAMAPTNR3C1SMN1; SMN2
SCHEMBL15705233 0.69 CYP2C19 (0.50) SLC16A3SLC16A1ACHEKDM4EGAA
SCHEMBL11291062 0.69 CYP2C19 (0.49) SLC16A3SLC16A1KDM4EGAAMAPT

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-4619402-A1 GPR17 MODULATORS AND USES THEREOF Myrobalan Therapeutics, Inc. (US) 2025-09-24 EP disclosed
WO-2024104462-A1 GPR17 MODULATORS AND USES THEREOF MYROBALAN THERAPEUTICS NANJING CO. LTD (CN) 2024-05-23 WO disclosed