SCHEMBL29317068

SCHEMBL29317068

CCC(=O)N1CCC(CN2CCC(C)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.53
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 2/20 0.51
THRB P10828 2/20 0.50
LMNA P02545 2/20 0.46
RAB9A P51151 1/20 0.43
EPHX2 P34913 3/20 0.43
EPHX1 P07099 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CACNA2D1 P54289 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNA1C Q13936 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR174 Q9BXC1 1/20 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
SCHEMBL12507042 0.86 MAPT (0.49) THRBLMNAEPHX2SMN1; SMN2
SCHEMBL10282539 0.86 ALDH1A1 (0.67) ACHEALDH1A1NPC1LMNARAB9A
SCHEMBL24480908 0.84 NPC1 (0.63) ACHEALDH1A1NPC1THRBLMNA
SCHEMBL25701777 0.83 HSD11B1 (0.53) ALDH1A1EPHX2SMN1; SMN2CACNA2D1CACNA1B
SCHEMBL18909221 0.83 GNAI3 (0.47) ALDH1A1EPHX2EPHX1CACNA2D1CACNA1B
SCHEMBL17285913 0.83 ACHE (0.56) ACHEALDH1A1NPC1THRBLMNA
SCHEMBL24480964 0.83 EPHX2 (0.40) THRBEPHX2EPHX1SMN1; SMN2CACNA2D1
SCHEMBL25667319 0.83 KDM4E (0.44) ALDH1A1THRBLMNAEPHX2EPHX1
SCHEMBL20471042 0.82 HRH3 (0.48) ALDH1A1EPHX2SMN1; SMN2CACNA2D1CACNA1B
SCHEMBL18909449 0.82 CACNA2D1 (0.45) ALDH1A1EPHX2EPHX1CACNA2D1CACNA1B

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
EP-4397661-A1 COMPOUND FOR DEGRADATION OF BCL-2 FAMILY PROTEINS AND MEDICAL APPLICATION THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-07-10 EP disclosed