SCHEMBL10685798

SCHEMBL10685798

NC(=O)C(CBr)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.50
KCNH2 Q12809 3/20 0.50
CHRM2 P08172 2/20 0.50
LMNA P02545 1/20 0.50
CYP2D6 P10635 1/20 0.50
CHRM1 P11229 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
HTT P42858 1/20 0.46
KCNN4 O15554 6/20 0.44
OPRM1 P35372 3/20 0.43
DRD3 P35462 2/20 0.43
DRD2 P14416 1/20 0.43
OPRK1 P41145 2/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
PGR P06401 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL27963558 0.84 CHRM3 (0.55) CHRM3KCNH2CHRM2LMNACYP2D6
SCHEMBL10683962 0.83 CYP1A2 (0.46) CHRM3KCNH2CHRM2LMNACYP2D6
SCHEMBL11021099 0.81 MAPT (0.52) CHRM3KCNH2CHRM2LMNACYP2D6
SCHEMBL3350095 0.79 CHRM3 (0.50) CHRM3KCNH2CHRM2LMNACYP2D6
SCHEMBL8071145 0.79 CHRM3 (0.50) CHRM3KCNH2CHRM2LMNACYP2D6
SCHEMBL4030430 0.79 MAPT (0.55) CHRM3KCNH2CHRM2LMNACYP2D6
SCHEMBL10524246 0.78 CHRM3 (0.57) CHRM3KCNH2CHRM2LMNACYP2D6
SCHEMBL1492533 0.78 SMN1; SMN2 (0.52) CHRM3KCNH2CHRM2LMNACYP2D6
Hydrochloric Acid SCHEMBL5252883 0.78 MAPT (0.53) CHRM3KCNH2CHRM2LMNACYP2D6
SCHEMBL11306031 0.77 DRD3 (0.50) CHRM3KCNH2CHRM2LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0139358-B1 N6-SUBSTITUTED DIARYLALKYL ADENOSINES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME WARNER-LAMBERT COMPANY (US) 1988-11-09 EP disclosed
EP-0251339-A2 N6- substituted diarylalkyl adenosines, processes for their production and pharmaceutical compositions comprising the same WARNER-LAMBERT COMPANY (US) 1988-01-07 EP disclosed
US-4657898-A CARDIOVACULAR AND PSYCHOLOGICAL DISORDERS, ANALGESICS, OR SEDATIVES WARNER-LAMBERT COMPANY (US) 1987-04-14 US disclosed
US-4657897-A N6 -substituted adenosines for treating pain WARNER-LAMBERT COMPANY (US) 1987-04-14 US disclosed
EP-0139358-A2 N6-substituted diarylalkyl adenosines, processes for their production and pharmaceutical compositions comprising the same WARNER-LAMBERT COMPANY (US) 1985-05-02 EP disclosed