SCHEMBL29384374

SCHEMBL29384374

CN1CCC2(CC1)CN(C(=O)OC(C)(C)C)c1ccccc12

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.56
NOTUM Q6P988 2/20 0.53
HDAC1 Q13547 7/20 0.49
HDAC6 Q9UBN7 7/20 0.49
HDAC8 Q9BY41 3/20 0.49
P2RY1 P47900 1/20 0.45
SLC18A3 Q16572 3/20 0.44
AKT1 P31749 1/20 0.43
BCHE P06276 1/20 0.40
USP30 Q70CQ3 1/20 0.40
SIGMAR1 Q99720 2/20 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
SCHEMBL13085702 1.00 KDM1A (0.56) KDM1ANOTUMHDAC1HDAC6HDAC8
SCHEMBL17807330 0.91 NOTUM (0.64) KDM1ANOTUMHDAC1HDAC6HDAC8
SCHEMBL30413026 0.85 NOTUM (0.53) KDM1ANOTUMHDAC1HDAC6HDAC8
SCHEMBL15676941 0.85 NOTUM (0.53) KDM1ANOTUMHDAC1HDAC6HDAC8
SCHEMBL30898670 0.85 NOTUM (0.53) KDM1ANOTUMHDAC1HDAC6HDAC8
SCHEMBL25350959 0.85 NOTUM (0.53) KDM1ANOTUMHDAC1HDAC6HDAC8
SCHEMBL1222469 0.85 NOTUM (0.53) KDM1ANOTUMHDAC1HDAC6HDAC8
SCHEMBL5578612 0.85 HDAC1 (0.55) KDM1ANOTUMHDAC1HDAC6HDAC8
SCHEMBL25229656 0.85 NOTUM (0.51) KDM1ANOTUMHDAC1HDAC6HDAC8
Hydrochloric Acid SCHEMBL25232027 0.84 NOTUM (0.52) KDM1ANOTUMHDAC1HDAC6HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113330008-B Preparation method of amide compound and application of amide compound in medicine field 上海华汇拓医药科技有限公司 2024-05-07 CN disclosed
EP-4192957-A2 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2023-06-14 EP disclosed
CN-116113698-A TRPML modulators 卡斯玛治疗公司 2023-05-12 CN disclosed
WO-2022032073-A2 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2022-02-10 WO disclosed