SCHEMBL24501935

SCHEMBL24501935

CCC(=O)N1CCC(CC2CCN(C(C)C)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.43
HRH3 Q9Y5N1 6/20 0.43
KCNH2 Q12809 3/20 0.43
EPHX1 P07099 2/20 0.41
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 2/20 0.37
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36

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
SCHEMBL16077702 0.88 EPHX2 (0.51) EPHX2EPHX1ALDH1A1GNAI3GNAO1
SCHEMBL22520624 0.83 CACNA2D1 (0.43) EPHX2HRH3KCNH2EPHX1CYP2D6
SCHEMBL26269840 0.81 HRH3 (0.43) EPHX2HRH3KCNH2CYP2D6ALDH1A1
SCHEMBL26263454 0.81 GNAI3 (0.53) EPHX2EPHX1ALDH1A1GNAI3GNAO1
SCHEMBL24475306 0.80 HRH3 (0.42) EPHX2HRH3KCNH2EPHX1CYP2D6
SCHEMBL24671522 0.80 HSD11B1 (0.43) EPHX2HRH3KCNH2CYP2D6ALDH1A1
SCHEMBL10154480 0.80 HRH3 (0.46) EPHX2HRH3KCNH2CYP2D6ALDH1A1
SCHEMBL25480233 0.80 HRH3 (0.44) HRH3KCNH2CYP2D6
SCHEMBL24501687 0.79 KDM4E (0.46) EPHX2HRH3KCNH2CYP2D6ALDH1A1
SCHEMBL12890856 0.78 HRH3 (0.43) HRH3KCNH2CYP2D6

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-2022120355-A1 TEAD DEGRADERS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 WO disclosed