SCHEMBL30967459

SCHEMBL30967459

COC(=O)c1cc2c(OCC(F)(F)F)nccc2n1CCNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.42
▸ MTNR1A P48039 2/20 0.38
▸ MTNR1B P49286 2/20 0.38
▸ CCNT1 O60563 2/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ DRD2 P14416 3/20 0.37
▸ ATR Q13535 1/20 0.36
▸ PARG Q86W56 1/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ STING1 Q86WV6 2/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CSNK2A2 P19784 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33

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
Hydrochloric Acid SCHEMBL30967463 0.82 SCN9A (0.37) MTNR1AMTNR1BCNR2SCN9ACYP2C9
SCHEMBL30967511 0.78 LDHA (0.34) CNR2SCN9ACYP2C9
SCHEMBL30967519 0.78 LDHA (0.34) CNR2SCN9ACYP2C9
SCHEMBL30967546 0.76 DYRK1A (0.36) DYRK1ACCNT1CDK9DRD2CNR2
SCHEMBL22554123 0.76 DYRK1A (0.43) DYRK1AMTNR1AMTNR1BCCNT1CDK9
SCHEMBL30967508 0.75 DYRK1A (0.35) DYRK1ACCNT1CDK9DRD2PARG
SCHEMBL30967522 0.74 SCN9A (0.34) SCN9ACYP2C9
SCHEMBL7879892 0.73 MTNR1A (0.69) MTNR1AMTNR1BDRD2CNR2CYP3A4
SCHEMBL16151412 0.69 GAA (0.43) DYRK1AMTNR1AMTNR1BDRD2PARG
SCHEMBL24213262 0.69 DRD2 (0.41) DYRK1ADRD2BRD4

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-4615838-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS Merck Patent GmbH (DE) 2025-09-17 — — EP disclosed
WO-2024099898-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-05-16 — — WO disclosed
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