SCHEMBL8208352

SCHEMBL8208352

Cc1ccc2[nH]cc(C(C)C3CCCN3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.40
HTR1B P28222 1/20 0.40
TP53 P04637 4/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
IDO1 P14902 1/20 0.37
HTR6 P50406 1/20 0.37
HTR2A P28223 1/20 0.37
CCNK O75909 2/20 0.35
CDK7 P50613 2/20 0.35
CCNH P51946 2/20 0.35
MNAT1 P51948 2/20 0.35
CDK12 Q9NYV4 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL9287655 0.86 HTR1D (0.42) HTR1DHTR1BSLC6A4SLC6A2SLC6A3
SCHEMBL774111 0.86 SLC6A4 (0.43) MAPTSLC6A4SLC6A2SLC6A3IDO1
SCHEMBL774639 0.86 SLC6A4 (0.43) MAPTSLC6A4SLC6A2SLC6A3IDO1
SCHEMBL8209129 0.86 SLC6A4 (0.43) HTR1BSLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL8507358 0.86 HTR1D (0.45) HTR1DHTR1BSLC6A4SLC6A2SLC6A3
SCHEMBL1697454 0.86 SLC6A4 (0.43) MAPTSLC6A4SLC6A2SLC6A3IDO1
SCHEMBL9287650 0.86 HTR1D (0.42) HTR1DHTR1BSLC6A4SLC6A2SLC6A3
SCHEMBL8209090 0.86 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL8506282 0.84 HTR1D (0.44) HTR1DHTR1BTP53MAPTSLC6A4
SCHEMBL8507170 0.84 HTR1D (0.43) HTR1DHTR1BSLC6A4SLC6A2SLC6A3

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-5998462-A SEROTONIN RECEPTOR ANTAGONIST ALLELIX BIOPHARMACEUTICALS INC. (CA) 1999-12-07 US claimed
US-6100291-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-08-08 US disclosed
US-5998462-A SEROTONIN RECEPTOR ANTAGONIST ALLELIX BIOPHARMACEUTICALS INC. (CA) 1999-12-07 US disclosed