SCHEMBL7943371

SCHEMBL7943371

CN1CCN(c2cccc3[nH]c(C(=O)NC(c4ccccc4)c4ccccc4)cc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RCE1 Q9Y256 1/20 0.48
HRH4 Q9H3N8 10/20 0.45
DRD2 P14416 2/20 0.44
PYGL P06737 1/20 0.44
PYGM P11217 1/20 0.44
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
AURKA O14965 1/20 0.43
HTR6 P50406 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL7950995 0.91 KMT2A (0.61) MEN1KMT2ARCE1HRH4DRD2
SCHEMBL7950988 0.91 KMT2A (0.61) MEN1KMT2ARCE1HRH4DRD2
SCHEMBL7950985 0.91 KMT2A (0.61) MEN1KMT2ARCE1HRH4DRD2
SCHEMBL7951576 0.83 HRH4 (0.51) HRH4DRD2PYGLPYGMHTR1A
SCHEMBL7943360 0.81 HRH4 (0.56) MEN1KMT2AHRH4ALDH1A1GAA
SCHEMBL7951552 0.81 DRD2 (0.53) MEN1KMT2AHRH4DRD2PYGL
SCHEMBL7950991 0.79 NPC1 (0.61) DRD2HTR1AHTR2AHTR2CDRD3
SCHEMBL7953632 0.78 HRH4 (0.54) MEN1KMT2AHRH4DRD2PYGL
SCHEMBL7951116 0.78 HRH4 (0.55) HRH4HTR1AALDH1A1HTR6KDM4E
SCHEMBL7950974 0.77 GOT1 (0.52) HRH4PYGLPYGM

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