SCHEMBL24099533

SCHEMBL24099533

Cc1ccc(C(CC2CC2)N[C@@H](C)c2ccccc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
CCR5 P51681 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33

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
SCHEMBL23458475 1.00 LMNA (0.44) LMNAMEN1HTTKMT2ASMN1; SMN2
SCHEMBL23182622 1.00 LMNA (0.44) LMNAMEN1HTTKMT2ASMN1; SMN2
SCHEMBL29771571 1.00 LMNA (0.44) LMNAMEN1HTTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL28638820 0.99 LMNA (0.43) LMNAMEN1HTTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL28638822 0.99 LMNA (0.43) LMNAMEN1HTTKMT2ASMN1; SMN2
SCHEMBL25871719 0.88 GAA (0.41) MEN1KMT2AGAAL3MBTL1TP53
SCHEMBL23486089 0.80 TP53 (0.46) LMNAMEN1HTTKMT2ASMN1; SMN2
SCHEMBL22078042 0.80 TP53 (0.46) LMNAMEN1HTTKMT2ASMN1; SMN2
SCHEMBL24811011 0.79 ACACA (0.39) LMNAHTTKMT2AGAAL3MBTL1
SCHEMBL29771538 0.79 ACACA (0.39) LMNAHTTKMT2AGAAL3MBTL1

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-2021252669-A1 CRF1 RECEPTOR ANTAGONIST FOR THE TREATMENT OF CONGENITAL ADRENAL HYPERPLASIA NEUROCRINE BIOSCIENCES, INC. (US) 2021-12-16 WO disclosed