SCHEMBL10975342

SCHEMBL10975342

Cc1cc2c(CCN3CC=C(c4ccccc4)CC3)cccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.53
HTR1A P08908 2/20 0.52
MAPT P10636 2/20 0.52
DRD2 P14416 2/20 0.52
DRD4 P21917 2/20 0.52
DRD3 P35462 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.48
APEX1 P27695 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL10969078 0.94 HTR1A (0.60) PARP1HTR1AMAPTDRD2DRD4
SCHEMBL10972023 0.87 DRD2 (0.54) PARP1HTR1AMAPTDRD2DRD4
SCHEMBL10967600 0.82 TDP1 (0.64) PARP1HTR1AMAPTDRD2DRD4
SCHEMBL10968442 0.81 DRD2 (0.55) HTR1AMAPTDRD2DRD4DRD3
SCHEMBL10971859 0.78 DRD2 (0.46) HTR1AMAPTDRD2DRD4DRD3
SCHEMBL10972508 0.78 DRD2 (0.53) HTR1AMAPTDRD2DRD4DRD3
SCHEMBL10973150 0.78 LMNA (0.48) PARP1HTR1AMAPTDRD2DRD4
SCHEMBL10970861 0.76 HTR1A (0.48) PARP1HTR1ADRD2DRD4DRD3
SCHEMBL10971132 0.76 HTR1A (0.58) PARP1HTR1AMAPTDRD2DRD4
SCHEMBL10968918 0.76 HTR1A (0.62) HTR1AMAPTDRD2DRD4DRD3

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
EP-0164633-A2 Indole derivatives MERCK PATENT GmbH (DE) 1985-12-18 EP disclosed