SCHEMBL9703831

SCHEMBL9703831

c1cc(C2CNCCO2)c2cc[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
HTR2A P28223 1/20 0.46
DRD3 P35462 1/20 0.44
HTR1A P08908 1/20 0.42
ADRB1 P08588 1/20 0.40
HTR6 P50406 1/20 0.40
AHR P35869 1/20 0.38

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
SCHEMBL31295110 0.81 HTR2A (0.53) DRD2HTR2ADRD3
SCHEMBL2599486 0.77 DRD2 (0.49) DRD2HTR2ADRD3HTR1A
Hydrochloric Acid SCHEMBL2599503 0.76 DRD2 (0.48) DRD2HTR2ADRD3HTR1A
SCHEMBL27915442 0.73 DRD2 (0.48) DRD2HTR2ADRD3HTR1A
SCHEMBL28106582 0.72 DRD2 (0.43) DRD2HTR2ADRD3HTR1A
SCHEMBL10491761 0.72 JAK2 (0.46) DRD2HTR2ADRD3ADRB1HTR6
SCHEMBL29151771 0.71 HTR2C (0.50) DRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL11136214 0.71 JAK2 (0.45) DRD2HTR2ADRD3ADRB1HTR6
SCHEMBL21254618 0.70 HTR2A (0.60) HTR2AHTR1A
SCHEMBL10676145 0.70 HTR2C (0.63) HTR1AADRB1HTR6AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230179-B1 4-MORPHOLINYL 1H-INDOLE DERIVATIVES, THEIR SALTS, PROCESS AND INTERMEDIATES OF PREPARATION, USE AS THERAPEUTIC AGENTS, COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1992-09-30 EP claimed
US-4699907-A ANTIISCHEMIC, HYPOTENSIVE AGENTS ROUSSEL UCLAF (FR) 1987-10-13 US claimed
US-4736042-A CHEMICAL INTERMEDIATES ROUSSEL UCLAF (FR) 1988-04-05 US disclosed
US-4736042-A CHEMICAL INTERMEDIATES ROUSSEL UCLAF (FR) 1988-04-05 US disclosed
US-4699907-A ANTIISCHEMIC, HYPOTENSIVE AGENTS ROUSSEL UCLAF (FR) 1987-10-13 US disclosed
US-4699907-A ANTIISCHEMIC, HYPOTENSIVE AGENTS ROUSSEL UCLAF (FR) 1987-10-13 US disclosed
US-4699907-A ANTIISCHEMIC, HYPOTENSIVE AGENTS ROUSSEL UCLAF (FR) 1987-10-13 US disclosed