SCHEMBL7353471

SCHEMBL7353471

COc1cccc(C(C)C2CCCNC2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.52
SLC6A2 P23975 7/20 0.47
SLC6A4 P31645 7/20 0.47
SLC6A3 Q01959 7/20 0.47
POLB P06746 1/20 0.44
HTR2C P28335 2/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL7353887 0.83 EED (0.52) EEDSLC6A2SLC6A4SLC6A3POLB
SCHEMBL7351989 0.82 EED (0.48) EEDSLC6A2SLC6A4SLC6A3POLB
SCHEMBL7353952 0.81 EED (0.50) EEDSLC6A2SLC6A4SLC6A3POLB
SCHEMBL27730686 0.81 POLB (0.50) SLC6A2SLC6A4SLC6A3POLBHTR2C
SCHEMBL7354322 0.81 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL19121854 0.79 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL7373623 0.79 EED (0.48) EEDSLC6A2SLC6A4SLC6A3POLB
SCHEMBL7346637 0.79 PARP1 (0.42) SLC6A4SLC6A3MEN1ALDH1A1MAPK1
SCHEMBL13576638 0.78 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL13576627 0.78 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594024-A ANTIDEPRESSANTS; TREATMENT OF NARCOLEPSY, SCHIZOPHRENIA, DRUG ABUSE THE UPJOHN COMPANY (US) 1997-01-14 US disclosed
US-5462947-A Nervous system disorders THE UPJOHN COMPANY (US) 1995-10-31 US disclosed
EP-0641320-A1 NEW CENTRALLY ACTING SUBSTITUTED PHENYLAZACYCLOALKANES PHARMACIA & UPJOHN COMPANY (US) 1995-03-08 EP disclosed
WO-1992018475-A2 SUBSTITUTED PHENYLAZACYCLOALKANES AS CNS AGENTS THE UPJOHN COMPANY (US) 1992-10-29 WO disclosed