SCHEMBL11233776

SCHEMBL11233776

CCCN1CCC=C(c2cccc3[nH]ccc23)C1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.41
HTR6 P50406 1/20 0.41
HTR2A P28223 1/20 0.40

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
SCHEMBL11228631 0.90 KDM4E (0.44) ADRB1HTR6
SCHEMBL11231626 0.84 DRD2 (0.46) ADRB1HTR6HTR2A
SCHEMBL11228410 0.84 HTR2A (0.54) ADRB1HTR6HTR2A
Phosphoric Acid SCHEMBL11224415 0.83 KDM4E (0.40) ADRB1HTR6
SCHEMBL11229113 0.81 ADRB1 (0.40) ADRB1HTR6
SCHEMBL11233825 0.81 CREBBP (0.43) ADRB1HTR6
SCHEMBL11220044 0.81 DRD2 (0.57) ADRB1HTR6HTR2A
SCHEMBL10671532 0.80 HTR1A (0.59) HTR6HTR2A
SCHEMBL10933661 0.77 HTR2A (0.46) HTR2A
Oxalic Acid SCHEMBL11227420 0.77 MAPK14 (0.53) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4332808-A Dopaminergically stimulating 4-substituted indoles ROUSSEL UCLAF (FR) 1982-06-01 US claimed
EP-0021924-A2 Indole derivatives, process for their preparation, their use as medicines and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1981-01-07 EP claimed
US-4332808-A Dopaminergically stimulating 4-substituted indoles ROUSSEL UCLAF (FR) 1982-06-01 US disclosed