SCHEMBL11070075

SCHEMBL11070075

CCCN1CC=C(c2cccc3c2CCN3)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.42
HTR1A P08908 3/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
DRD2 P14416 6/20 0.39
HTR7 P34969 1/20 0.39
DRD4 P21917 2/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL10510161 0.80 HTR1A (0.44) HTR6HTR1AKDM4ELMNADRD2
Hydrochloric Acid SCHEMBL10674226 0.80 HTR1A (0.44) HTR6HTR1AKDM4ELMNADRD2
SCHEMBL3772285 0.76 CCNT1 (0.44) HTR1AKDM4ELMNAALOX15DRD2
SCHEMBL3766147 0.74 PPARG (0.52) HTR6HTR1ADRD2SIGMAR1
SCHEMBL10510289 0.73 DRD2 (0.45) HTR6HTR1ADRD2HTR7DRD4
SCHEMBL10671532 0.72 HTR1A (0.59) HTR6HTR1AKDM4ELMNAALOX15
SCHEMBL29363627 0.70 SIGMAR1 (0.60) HTR1ADRD2DRD4SIGMAR1
SCHEMBL2781318 0.70 PPARG (0.44) HTR6HTR1AKDM4ELMNAALOX15
SCHEMBL2782763 0.70 HTR1A (0.40) HTR6HTR1AKDM4ELMNAALOX15
SCHEMBL30796599 0.70 PDK4 (0.61) HTR6

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-4435408-A Dopaminergic stimulating and antianoxic 4-substituted 2H-indole-2-ones ROUSSEL UCLAF (FR) 1984-03-06 US disclosed