SCHEMBL8045830

SCHEMBL8045830

CC1c2ccccc2CCN1C(=O)C(Cl)Cl.O=C(C(Cl)Cl)N1CCOC12CCCCC2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.43
ACE P12821 1/20 0.38
RIPK1 Q13546 1/20 0.37
MTNR1B P49286 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNH2 Q12809 5/20 0.35
CYP2D6 P10635 5/20 0.35
LIPE Q05469 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TRPM8 Q7Z2W7 1/20 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
SCHEMBL2138396 0.82 DRD1 (0.59) DRD1ACERIPK1MTNR1BCYP2D6
SCHEMBL337653 0.75 CTSB (0.37) ALDH1A1
SCHEMBL11387535 0.75 CTSB (0.37) ALDH1A1
SCHEMBL9873974 0.74 ALDH1A1 (0.36) ALDH1A1
SCHEMBL9508172 0.73 DRD1 (0.57) DRD1ACERIPK1MTNR1BCYP2D6
SCHEMBL5603396 0.69 CTSB (0.32) ALDH1A1
SCHEMBL9873835 0.69 CTSB (0.32) ALDH1A1
SCHEMBL18711615 0.69 DRD1 (0.60) DRD1ACERIPK1MTNR1BSMN1; SMN2
SCHEMBL10312392 0.69 DRD1 (0.60) DRD1ACERIPK1MTNR1BSMN1; SMN2
SCHEMBL9875395 0.68 ALDH1A1 (0.39) ALDH1A1KMT2A

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-0802732-B1 HERBICIDAL COMPOSITIONS OF 4-BENZOYLISOXAZOLE OR 2-CYANO-1,3-DIONE HERBICIDES AND ANTIDOTES THEREFOR ZENECA LTD (GB) 2000-04-19 EP disclosed