SCHEMBL11569029

SCHEMBL11569029

CCOC(=O)N1CCC(Nc2ccccc2)(C(=O)O)CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.63
POLB P06746 3/20 0.52
ABL1 P00519 1/20 0.52
RIN1 Q13671 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TSHR P16473 2/20 0.50
CYP2C19 P33261 1/20 0.50
APP P05067 4/20 0.49
PYGL P06737 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL800531 0.91 MAPT (0.58) MAPTPOLBABL1RIN1TDP1
SCHEMBL5067988 0.90 MAPT (0.56) MAPTPOLBABL1RIN1TDP1
SCHEMBL11568412 0.90 MAPT (0.56) MAPTPOLBABL1RIN1TDP1
SCHEMBL780425 0.88 MAPT (0.62) MAPTPOLBABL1RIN1TDP1
SCHEMBL13422548 0.86 MAPT (0.53) MAPTPOLBABL1RIN1TDP1
SCHEMBL13451568 0.85 MAPT (0.52) MAPTPOLBABL1RIN1TDP1
SCHEMBL17140845 0.83 GPR119 (0.51) TSHRCYP2C19MEN1KMT2AKDM4E
SCHEMBL19690767 0.82 MAPT (0.48) MAPTTSHRKDM4E
SCHEMBL27442353 0.77 MAPT (1.00) MAPTPOLBABL1RIN1TDP1
SCHEMBL11047280 0.77 MAPT (0.48) MAPTPOLBABL1RIN1TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200352917-A1 MEDICATED SPRAY FOR TREATMENT OF SUBSTANCE ABUSE, OVERDOSE, ADDICTION AND IMPULSE CONTROL DISORDERS GOOBERMAN LANCE L (US) 2020-11-12 US disclosed
US-4179569-A ANALGESIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1979-12-18 US disclosed
US-3998834-A ANALGESICS JANSSEN PHARMACEUTICA N.V. (BE) 1976-12-21 US disclosed