SCHEMBL10923734

SCHEMBL10923734

Clc1ccc(CN2CCN(c3[c]cccc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.60
DRD4 P21917 3/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 5/20 0.53
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.46
LSS P48449 1/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL3489540 0.89 SIGMAR1 (0.60) SIGMAR1DRD4ALDH1A1KDM4EMAPT
SCHEMBL4681104 0.82 SLC6A4 (0.43) SIGMAR1DRD4MEN1KMT2AALDH1A1
SCHEMBL4681112 0.82 SLC6A4 (0.43) SIGMAR1DRD4MEN1KMT2AALDH1A1
SCHEMBL10926737 0.81 DRD4 (0.50) SIGMAR1DRD4KMT2AALDH1A1KDM4E
SCHEMBL8961761 0.78 MAPT (0.31) MAPTSMN1; SMN2GAA
SCHEMBL10925889 0.78 SIGMAR1 (0.58) SIGMAR1DRD4ALDH1A1KDM4EL3MBTL1
SCHEMBL5540026 0.76 ACHE (0.60) MEN1KMT2ASMN1; SMN2GAA
SCHEMBL8421218 0.76 KDM4E (0.62) DRD4MEN1KMT2AALDH1A1KDM4E
SCHEMBL16993800 0.76 CHRNA7 (0.55) SIGMAR1MEN1KMT2AKDM4EMAPT
SCHEMBL4649494 0.76 DRD4 (0.87) SIGMAR1DRD4MEN1KMT2AALDH1A1

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-0076996-B1 CARBOXYLIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1986-01-02 EP disclosed