SCHEMBL28500321

SCHEMBL28500321

CC(C)(C)C(=O)N1CCc2c(Cc3ccc(-c4cscn4)cc3)cc(C(=O)O)nc2C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 5/20 0.40
▸ PDE2A O00408 1/20 0.40
▸ PDE11A Q9HCR9 1/20 0.40
▸ P2RX7 Q99572 2/20 0.37
▸ ECE1 P42892 1/20 0.35
▸ ALOX5AP P20292 1/20 0.33
▸ P2RX3 P56373 1/20 0.32
▸ ADAM17 P78536 1/20 0.32
▸ HDAC6 Q9UBN7 3/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ SLC16A3 O15427 1/20 0.31
▸ SLC16A1 P53985 1/20 0.31
▸ MCTS1 Q9ULC4 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ KDM4A O75164 1/20 0.31
▸ KDM4B O94953 1/20 0.31
▸ KDM5C P41229 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31

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
SCHEMBL19925995 0.89 P2RX3 (0.38) CHRM1PDE2APDE11AP2RX7P2RX3
SCHEMBL19932659 0.82 P2RX3 (0.38) CHRM1PDE2APDE11AP2RX7P2RX3
SCHEMBL19932582 0.82 ADORA1 (0.41) CHRM1PDE2APDE11AP2RX7P2RX3
SCHEMBL22212646 0.79 CHRM1 (0.37) CHRM1PDE2APDE11AECE1ALOX5AP
SCHEMBL21545739 0.75 CHRM1 (0.64) CHRM1PDE2APDE11A
SCHEMBL19932658 0.75 CHRM1 (0.61) CHRM1PDE2APDE11A
SCHEMBL28904624 0.75 CHRM1 (0.61) CHRM1PDE2APDE11A
SCHEMBL22212642 0.72 CHRM1 (0.37) CHRM1PDE2APDE11AALOX5AP
SCHEMBL19925934 0.71 PTGER4 (0.43) P2RX3CNR2
SCHEMBL20030498 0.70 CHRM1 (0.49) CHRM1PDE2APDE11A

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-109952302-B Positive allosteric modulators of muscarinic M1 receptors 苏文生命科学有限公司 2020-11-24 — — CN disclosed
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