SCHEMBL8935332

SCHEMBL8935332

CC(N)C(=O)NCc1ccc(OCc2cccc(Cl)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.62
CARM1 Q86X55 3/20 0.61
PRMT6 Q96LA8 3/20 0.61
MAOB P27338 5/20 0.57
MAOA P21397 1/20 0.57
ALOX5 P09917 1/20 0.56
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
RXRG P48443 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
ALOX12 P18054 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL8935439 0.87 GID4 (0.61) GID4MAOBMAOAALOX5RXRA
SCHEMBL8935244 0.86 MAOB (0.69) MAOBMAOA
SCHEMBL14323980 0.86 MAOB (0.69) MAOBMAOA
SCHEMBL30002836 0.83 GID4 (0.59) GID4MAOBMAOAALOX5RXRA
SCHEMBL30002267 0.83 GID4 (0.59) GID4MAOBMAOAALOX5RXRA
SCHEMBL8935243 0.83 GID4 (0.74) GID4MAOBMAOAALOX5RXRA
SCHEMBL8431672 0.82 MAOB (0.58) GID4MAOBMAOAALOX5RXRA
Hydrochloric Acid SCHEMBL8935260 0.82 GID4 (0.73) GID4MAOBMAOAALOX5RXRA
SCHEMBL2018555 0.81 MAOB (0.76) MAOBMAOA
SCHEMBL964395 0.81 MAOB (0.76) MAOBMAOA

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
US-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed