SCHEMBL31693878

SCHEMBL31693878

CC(C)(C)OC(=O)N1CCC2(CC1)CC(NC(=O)OCc1ccccc1)c1ccc(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.44
▸ MCHR2 Q969V1 1/20 0.43
▸ GPR119 Q8TDV5 1/20 0.41
▸ TACR1 P25103 1/20 0.41
▸ TP53 P04637 3/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ YAP1 P46937 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ NAE1 Q13564 1/20 0.40
▸ UBA3 Q8TBC4 1/20 0.40
▸ RORC P51449 1/20 0.40
▸ MC4R P32245 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ CCNA1 P78396 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
SCHEMBL7623319 0.91 KDM1A (0.44) MCHR2IDO1YAP1NAE1UBA3
SCHEMBL8314335 0.91 KDM1A (0.44) MCHR2IDO1YAP1NAE1UBA3
SCHEMBL12084830 0.81 KDM1A (0.46) MCHR2IDO1LMNANAE1UBA3
SCHEMBL31693987 0.81 MCHR2 (0.35) P2RX7MCHR2TP53IDO1LMNA
SCHEMBL31694103 0.80 MCHR2 (0.34) MCHR2RORC
SCHEMBL14272800 0.80 MC4R (0.60) MC4R
SCHEMBL14300913 0.80 MC4R (0.60) MC4R
SCHEMBL31693849 0.77 HSD11B1 (0.49) GPR119CNR1CNR2
SCHEMBL31693853 0.77 HSD11B1 (0.49) GPR119CNR1CNR2
SCHEMBL9994136 0.76 NAMPT (0.48) P2RX7GPR119TACR1YAP1BACE1

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
WO-2025201477-A1 SPIROCYCLIC GSDME INHIBITORS PYROTECH (BEIJING) BIOTECHNOLOGY CO.,LTD. (CN) 2025-10-02 — — WO disclosed
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