SCHEMBL31556571

SCHEMBL31556571

CC(C)(C)OC(=O)N1CC(C#Cc2ccc(C(F)(F)F)cn2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LIPE Q05469 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ GPR119 Q8TDV5 3/20 0.40
▸ HCRTR1 O43613 2/20 0.39
▸ HCRTR2 O43614 2/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ STS P08842 1/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ TACR1 P25103 2/20 0.38
▸ EIF2AK4 Q9P2K8 2/20 0.38

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
SCHEMBL30835998 0.83 SYK (0.43) RORCMAPTGPR119HRH3GRM5
SCHEMBL31664271 0.78 SLC6A9 (0.48) RORCHPGDSMN1; SMN2LIPEMAPT
SCHEMBL30835991 0.76 RORC (0.41) RORCMAPTGPR119STSTACR1
SCHEMBL31312638 0.76 LIPE (0.51) LIPEGPR119HRH3
SCHEMBL17729502 0.76 SYK (0.50) RORCHPGDSMN1; SMN2LIPEMAPT
SCHEMBL5916445 0.74 SMN1; SMN2 (0.59) HPGDSMN1; SMN2MAPTHRH3
SCHEMBL30835927 0.74 RORC (0.43) RORCHPGDSMN1; SMN2LIPEMAPT
SCHEMBL30824737 0.74 GPR119 (0.47) GPR119
SCHEMBL27401285 0.74 RORC (0.43) RORCHPGDSMN1; SMN2LIPEMAPT
SCHEMBL30835993 0.74 GPR119 (0.48) RORCLIPEMAPTGPR119STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119894866-A YAP/TAZ-TEAD oncoprotein inhibitors 布里奇恩生物科学公司 2025-04-25 — — CN disclosed
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