SCHEMBL9490706

SCHEMBL9490706

COc1ccc2ccc(CCNC(=O)CI)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAOA P21397 1/20 0.55
SLC6A2 P23975 1/20 0.55
RAB9A P51151 1/20 0.55
SLC6A3 Q01959 1/20 0.55
MTNR1A P48039 4/20 0.54
MTNR1B P49286 3/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PTGS1 P23219 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL9493169 0.88 MTNR1A (0.60) SMN1; SMN2MAPTKDM4ENPC1LMNA
SCHEMBL9496042 0.87 SMN1; SMN2 (0.55) SMN1; SMN2MAPTKDM4ENPC1LMNA
SCHEMBL9490605 0.87 SMN1; SMN2 (0.55) SMN1; SMN2MAPTKDM4ENPC1LMNA
SCHEMBL9490321 0.86 MTNR1A (0.60) SMN1; SMN2MAPTKDM4ENPC1LMNA
SCHEMBL9491759 0.85 SMN1; SMN2 (0.70) SMN1; SMN2MAPTKDM4ENPC1LMNA
SCHEMBL9493618 0.84 KDM4E (0.60) SMN1; SMN2MAPTKDM4EMTNR1A
SCHEMBL9492795 0.84 MTNR1A (0.67) SMN1; SMN2MAPTNPC1MTNR1AMTNR1B
SCHEMBL9492744 0.83 MTNR1A (0.64) SMN1; SMN2MAPTKDM4ENPC1LMNA
SCHEMBL3719877 0.82 SMN1; SMN2 (0.74) SMN1; SMN2MAPTKDM4ENPC1LMNA
SCHEMBL9130202 0.82 MTNR1A (0.61) SMN1; SMN2MAPTKDM4ENPC1LMNA

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-5225442-A Melatoninergic disorders ADIR ET COMPAGNIE (FR) 1993-07-06 US disclosed