SCHEMBL32677643

SCHEMBL32677643

O=C(O)[C@H]1C[C@@H]1c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.53
KDM1B Q8NB78 1/20 0.53
FFAR1 O14842 2/20 0.47
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
GPR88 Q9GZN0 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NR4A2 P43354 2/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
PTGER1 P34995 1/20 0.41

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
SCHEMBL4133939 1.00 KDM1A (0.53) KDM1AKDM1BFFAR1HTR2CHTR2B
SCHEMBL31332619 1.00 KDM1A (0.53) KDM1AKDM1BFFAR1HTR2CHTR2B
SCHEMBL31076255 1.00 KDM1A (0.53) KDM1AKDM1BFFAR1HTR2CHTR2B
SCHEMBL5675799 1.00 KDM1A (0.53) KDM1AKDM1BFFAR1HTR2CHTR2B
SCHEMBL3420686 1.00 KDM1A (0.53) KDM1AKDM1BFFAR1HTR2CHTR2B
SCHEMBL15797923 1.00 KDM1A (0.53) KDM1AKDM1BFFAR1HTR2CHTR2B
SCHEMBL30636931 0.84 DRD2 (0.44) KDM1AKDM1BFFAR1MEN1KMT2A
SCHEMBL26186779 0.84 DRD2 (0.44) KDM1AKDM1BFFAR1MEN1KMT2A
SCHEMBL26186789 0.84 DRD2 (0.44) KDM1AKDM1BFFAR1MEN1KMT2A
SCHEMBL26186918 0.84 DRD2 (0.44) KDM1AKDM1BFFAR1MEN1KMT2A

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-2026041636-A1 MACROCYCLE COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2026-02-26 WO disclosed