SCHEMBL10748529

SCHEMBL10748529

CC1c2c([nH]c3ccccc23)CCC1CN1CC=C(c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
DRD4 P21917 2/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
MCHR1 Q99705 1/20 0.42
PARP1 P09874 1/20 0.42

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
SCHEMBL10745020 0.79 KDM4E (0.48) KDM4ELMNAMAPTDRD4DRD2
SCHEMBL10741002 0.77 DRD2 (0.58) KDM4ELMNAMAPTDRD4DRD2
SCHEMBL10748537 0.73 MCHR1 (0.38) MCHR1
SCHEMBL10742755 0.72 DRD2 (0.49) KDM4ELMNAMAPTDRD4DRD2
SCHEMBL10745251 0.71 DRD2 (0.48) KDM4ELMNAMAPTDRD4DRD2
SCHEMBL13064448 0.71 MCHR1 (0.43) DRD2MCHR1
SCHEMBL10749274 0.71 DRD2 (0.48) KDM4ELMNAMAPTDRD4DRD2
SCHEMBL10742344 0.71 DRD2 (0.53) KDM4ELMNAMAPTDRD4DRD2
SCHEMBL10748978 0.70 DRD2 (0.52) KDM4ELMNAMAPTDRD4DRD2
SCHEMBL10747134 0.69 DRD2 (0.50) KDM4EMAPTDRD4DRD2DRD3

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-4698351-A Tetrahydrocarbazole derivatives and pharmaceutical compositions MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1987-10-06 US disclosed
US-4618614-A Method of treating psychosis using tetrahydrocarbazole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-21 US disclosed
US-4547576-A Tetrahydrocarbazole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-10-15 US disclosed