SCHEMBL20909795

SCHEMBL20909795

Cc1ccc2c(c1)CC(N1CC1)C2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.44
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
HTR2B P41595 3/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GRIN2B Q13224 2/20 0.41
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ACHE P22303 1/20 0.38
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC18A3 Q16572 1/20 0.36
AADAT Q8N5Z0 2/20 0.36
SRD5A1 P18405 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
SCHEMBL20909692 0.85 LMNA (0.52) HTR2AHTR2CHTR2BLMNAALDH1A1
SCHEMBL20909691 0.85 LMNA (0.52) HTR2AHTR2CHTR2BLMNAALDH1A1
SCHEMBL13102476 0.79 LMNA (0.47) FYNLMNAALDH1A1GRIN2BKDM4E
SCHEMBL15127496 0.77 FYN (0.42) FYNLMNAALDH1A1KDM4ESRD5A1
SCHEMBL20892033 0.76 HTR2A (0.45) FYNHTR2AHTR2CHTR2BLMNA
SCHEMBL20883972 0.76 ACHE (0.43) FYNALDH1A1GRIN2BKDM4ENPSR1
SCHEMBL13102446 0.76 LMNA (0.44) HTR2ALMNAALDH1A1GRIN2BKDM4E
Hydrochloric Acid SCHEMBL9342934 0.74 HTR2C (0.44) HTR2AHTR2CHTR2BLMNAGRIN2B
SCHEMBL14875712 0.74 KDM4E (0.46) FYNHTR2ALMNAALDH1A1GRIN2B
SCHEMBL80428 0.74 ACHE (0.47) HTR2AHTR2CHTR2BALDH1A1KDM4E

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-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 WO disclosed