SCHEMBL29232144

SCHEMBL29232144

CC(C)=Cc1ccc(C#N)c(N2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.45
▸ NR1H3 Q13133 1/20 0.45
▸ GPR119 Q8TDV5 5/20 0.45
▸ RET P07949 6/20 0.41
▸ GBA1 P04062 2/20 0.41
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ EGLN2 Q96KS0 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAP4K4 O95819 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
SCHEMBL30163998 1.00 NR1H2 (0.45) NR1H2NR1H3GPR119RETGBA1
SCHEMBL24986790 0.81 GPR119 (0.49) NR1H2NR1H3GPR119RETGBA1
SCHEMBL30164198 0.81 GPR119 (0.49) NR1H2NR1H3GPR119RETGBA1
SCHEMBL30163884 0.79 GPR119 (0.45) NR1H2NR1H3GPR119RETEGLN2
SCHEMBL24984504 0.79 GPR119 (0.45) NR1H2NR1H3GPR119RETEGLN2
SCHEMBL30163917 0.78 GPR119 (0.46) NR1H2NR1H3GPR119RETKCNH2
SCHEMBL29232158 0.78 GPR119 (0.46) NR1H2NR1H3GPR119RETKCNH2
SCHEMBL4573148 0.77 GRIA1 (0.49) NR1H2NR1H3GPR119RETCKS1B
SCHEMBL3538823 0.77 KDM4E (0.59) NR1H2NR1H3GPR119ALDH1A1MAPT
SCHEMBL24984528 0.76 MEN1 (0.42) NR1H2NR1H3GPR119RETCKS1B

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-118159530-A Compounds for the treatment of pain, in particular neuropathic pain and/or other diseases or disorders associated with AT2R and/or AT2R mediated signalling 康福治疗有限公司 2024-06-07 — — CN disclosed
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