SCHEMBL7319920

SCHEMBL7319920

COc1cccc(C2CCN(CCCc3ccccc3)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.69
DRD2 P14416 1/20 0.69
MEN1 O00255 1/20 0.64
TP53 P04637 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
TSHR P16473 1/20 0.64
CYP2C19 P33261 1/20 0.64
KMT2A Q03164 1/20 0.64
HTR1A P08908 1/20 0.60
SLC6A4 P31645 1/20 0.60
OPRM1 P35372 1/20 0.60

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 SCHEMBL7310794 0.99 SIGMAR1 (0.67) SIGMAR1DRD2MEN1TP53CYP1A2
SCHEMBL10656309 0.87 DRD2 (0.71) SIGMAR1DRD2OPRM1
SCHEMBL10653140 0.87 DRD2 (0.71) SIGMAR1DRD2OPRM1
SCHEMBL10653134 0.87 DRD2 (0.71) SIGMAR1DRD2OPRM1
SCHEMBL7480157 0.84 DRD2 (0.74) DRD2SLC6A4
SCHEMBL9521523 0.83 SIGMAR1 (1.00) SIGMAR1DRD2MEN1TP53CYP1A2
SCHEMBL7402939 0.82 SIGMAR1 (0.75) SIGMAR1DRD2MEN1TP53CYP1A2
SCHEMBL21222765 0.82 DRD2 (1.00) SIGMAR1DRD2SLC6A4
SCHEMBL29914653 0.82 DRD2 (1.00) SIGMAR1DRD2SLC6A4
SCHEMBL8091036 0.81 SIGMAR1 (0.76) SIGMAR1DRD2MEN1TP53CYP1A2

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-5364867-A For treatment of psychosis STERLING WINTHROP INC. (US) 1994-11-15 US claimed