SCHEMBL7949873

SCHEMBL7949873

CN1CCN(c2cccc3[nH]c(C(=O)NCc4ccc(Br)cc4)cc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.48
DRD3 P35462 4/20 0.48
HTR1A P08908 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HRH4 Q9H3N8 6/20 0.47
MAPT P10636 2/20 0.46
KMT2A Q03164 1/20 0.44
DRD4 P21917 2/20 0.44
PYGL P06737 1/20 0.42
PYGM P11217 1/20 0.42
TP53 P04637 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 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
SCHEMBL7951552 0.91 DRD2 (0.53) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL7951589 0.90 KMT2A (0.51) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL7951585 0.90 MAPT (0.56) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL7951679 0.88 DRD2 (0.53) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL7950986 0.88 DRD2 (0.48) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL7943400 0.87 CYP2C9 (0.50) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL7949863 0.86 HRH4 (0.47) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL7949958 0.85 DRD2 (0.47) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL7951009 0.83 ALDH1A1 (0.47) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL7950991 0.81 NPC1 (0.61) DRD2DRD3HTR1AHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255306-B1 PSYCHOLOGICAL DISORDERS MACOR JOHN E (US) 2001-07-03 US claimed
EP-0773942-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1997-05-21 EP claimed
WO-1996003400-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1996-02-08 WO claimed
US-6255306-B1 PSYCHOLOGICAL DISORDERS MACOR JOHN E (US) 2001-07-03 US disclosed
EP-0773942-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1997-05-21 EP disclosed
WO-1996003400-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1996-02-08 WO disclosed