SCHEMBL25640464

SCHEMBL25640464

COc1ccccc1CN1CCN[C@H](c2ccccc2C(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.47
GNAI3 P08754 1/20 0.47
CYP2D6 P10635 2/20 0.45
USP2 O75604 1/20 0.45
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.40
PTPN11 Q06124 1/20 0.40
PDE10A Q9Y233 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
SCHEMBL25478847 0.87 TACR1 (0.40) TACR1CHRM2KDM4E
SCHEMBL25640512 0.86 KMT2A (0.41) TACR1GNAI3MEN1KMT2A
SCHEMBL25640516 0.85 TACR1 (0.42) TACR1MEN1KMT2AKDM4E
SCHEMBL25264678 0.85 KMT2A (0.43) MEN1KMT2AKDM4EPDE10A
SCHEMBL23943614 0.85 KMT2A (0.46) MEN1KMT2AKDM4E
SCHEMBL30034375 0.85 KMT2A (0.46) MEN1KMT2AKDM4E
SCHEMBL25192315 0.85 KMT2A (0.46) MEN1KMT2AKDM4E
SCHEMBL25189507 0.85 KMT2A (0.43) MEN1KMT2AKDM4EPDE10A
SCHEMBL25478885 0.85 TACR1 (0.38) TACR1GNAI3CHRM2KMT2AKDM4E
SCHEMBL25640410 0.85 TACR1 (0.38) TACR1GNAI3CHRM2KMT2AKDM4E

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-2023104043-A1 ANTI-APOPTOTIC PROTEIN BCL-2 INHIBITOR, PHARMACEUTICAL COMPOSITION AND USES THEREOF 杭州和正医药有限公司 2023-06-15 WO disclosed