SCHEMBL11799622

SCHEMBL11799622

OCCSC1CN=C(c2ccccc2)c2cc(Cl)ccc2N1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 12/20 0.48
CNR1 P21554 1/20 0.48
NTSR1 P30989 1/20 0.48
OPRK1 P41145 1/20 0.48
PDE4D Q08499 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
ALB P02768 1/20 0.44
KMT2A Q03164 1/20 0.44
CCKBR P32239 1/20 0.40
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL11884560 0.87 OPRK1 (0.46) CHRM1OPRK1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL7309472 0.74 CHRM1 (0.52) CHRM1CNR1NTSR1OPRK1PDE4D
SCHEMBL10672472 0.72 CHRM1 (0.53) CHRM1CNR1NTSR1OPRK1PDE4D
SCHEMBL11276681 0.72 CHRM1 (0.53) CHRM1CNR1NTSR1OPRK1PDE4D
SCHEMBL11276666 0.72 CHRM1 (0.53) CHRM1CNR1NTSR1OPRK1PDE4D
SCHEMBL28333618 0.72 CHRM1 (0.56) CHRM1CNR1NTSR1OPRK1PDE4D
SCHEMBL28037510 0.72 OPRK1 (0.56) CHRM1CNR1NTSR1OPRK1PDE4D
SCHEMBL7319909 0.70 OPRK1 (0.50) CHRM1CNR1NTSR1OPRK1PDE4D
SCHEMBL11460470 0.67 CHRM1 (0.59) CHRM1CNR1NTSR1OPRK1PDE4D
SCHEMBL29414926 0.67 CHRM1 (0.59) CHRM1CNR1NTSR1OPRK1PDE4D

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-3932399-A MUSCLE RELAXANTS, SEDATIVES, ANTICONVULSANTS HOFFMANN-LA ROCHE INC. (US) 1976-01-13 US disclosed