SCHEMBL11747481

SCHEMBL11747481

OC1(c2ccccn2)CCN(CCC2COc3ccccc3O2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.54
CCR1 P32246 1/20 0.47
GAA P10253 1/20 0.47
HTR1A P08908 3/20 0.44
ADRA1D P25100 3/20 0.43
ADRA1A P35348 3/20 0.43
ADRA1B P35368 3/20 0.43
ALOX15 P16050 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
HTT P42858 1/20 0.43

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 SCHEMBL11534661 0.99 DRD2 (0.53) DRD2CCR1GAAHTR1AADRA1D
SCHEMBL11537350 0.83 LTA4H (0.59) DRD2GAAHTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL11540300 0.82 LTA4H (0.58) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL11755126 0.81 DRD2 (0.55) DRD2CCR1ADRA1DADRA1AADRA1B
SCHEMBL3358687 0.79 DRD2 (0.55) DRD2ADRA1DADRA1AADRA1BHTT
SCHEMBL11636249 0.77 DRD2 (0.58) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL11536925 0.76 LTA4H (0.57) DRD2CCR1ADRA1DADRA1AADRA1B
SCHEMBL11538347 0.76 DRD2 (0.48) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL11538342 0.75 DRD2 (0.47) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL11536473 0.72 LTA4H (0.50) DRD2CCR1HTR1AADRA1DADRA1A

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-4039676-A NEUROLEPTIC AGENTS CIBA-GEIGY CORPORATION (US) 1977-08-02 US claimed