SCHEMBL10835682

SCHEMBL10835682

CC(Oc1ccccc1Cc1ccccc1)N(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.57
MAOB P27338 2/20 0.57
DRD1 P21728 3/20 0.54
DRD2 P14416 2/20 0.54
DRD4 P21917 2/20 0.54
DRD5 P21918 2/20 0.54
HRH1 P35367 7/20 0.53
DRD3 P35462 2/20 0.48
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.44
NISCH Q9Y2I1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTR1A P08908 1/20 0.40

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
Hydrochloric Acid SCHEMBL8856997 0.98 MAOA (0.56) MAOAMAOBDRD1DRD2DRD4
SCHEMBL11679609 0.86 MAOA (0.53) MAOAMAOBDRD1DRD2DRD4
SCHEMBL11676135 0.81 DRD1 (0.50) MAOAMAOBDRD1DRD2DRD4
SCHEMBL4350509 0.79 MAOA (0.52) MAOAMAOBDRD1DRD2DRD4
SCHEMBL9162703 0.79 MAOA (0.52) MAOAMAOBDRD1DRD2DRD4
SCHEMBL11677588 0.77 HRH1 (0.47) MAOAMAOBDRD1DRD2DRD4
SCHEMBL28729808 0.77 MAOA (0.50) MAOAMAOBDRD1DRD2DRD4
SCHEMBL10983124 0.75 KMT2A (0.58) MAOAMAOBDRD1DRD2DRD4
SCHEMBL11201650 0.75 MAOA (0.48) MAOAMAOBDRD1DRD2DRD4
SCHEMBL8672814 0.74 MAOA (0.48) MAOAMAOBDRD1DRD2DRD4

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-4590191-A DIPHENHYDRAMINE OR SALT COMPONENT; ORAL OR RECTAL MEDICHEMIE AG (CH) 1986-05-20 US disclosed