SCHEMBL31076379

SCHEMBL31076379

Cc1ncc(-c2c(Cl)cccc2CC2CN(C(=O)OC(C)(C)C)CCO2)o1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.42
EPHA2 P29317 4/20 0.41
MAPT P10636 1/20 0.41
ERBB2 P04626 1/20 0.40
EPHB4 P54760 1/20 0.40
RET P07949 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
STS P08842 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
P2RX7 Q99572 1/20 0.35
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL31076418 0.83 EPHA2 (0.42) GPR119EPHA2MAPTERBB2EPHB4
SCHEMBL31076489 0.82 EPHA2 (0.41) GPR119EPHA2MAPTERBB2EPHB4
SCHEMBL31076369 0.82 EPHA2 (0.42) GPR119EPHA2MAPTERBB2EPHB4
SCHEMBL31076468 0.82 USP30 (0.42) GPR119EPHA2MAPTERBB2EPHB4
SCHEMBL31076410 0.81 EPHA2 (0.41) GPR119EPHA2MAPTERBB2EPHB4
SCHEMBL31076463 0.81 GPR119 (0.43) GPR119EPHA2MAPTERBB2EPHB4
SCHEMBL31076423 0.81 EPHA2 (0.41) GPR119EPHA2MAPTERBB2EPHB4
SCHEMBL31076390 0.80 EPHA2 (0.42) GPR119EPHA2MAPTERBB2EPHB4
SCHEMBL31076372 0.80 MAPT (0.43) EPHA2MAPTERBB2EPHB4STS
SCHEMBL31076429 0.78 MAPT (0.46) EPHA2MAPTERBB2EPHB4LMNA

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-4642778-A1 LSD1 MODULATORS Recursion Pharmaceuticals, Inc. (US) 2025-11-05 EP disclosed
WO-2024141757-A1 LSD1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2024-07-04 WO disclosed