SCHEMBL7684967

SCHEMBL7684967

Cc1cc(C)c(-n2c3ccccc3c3c(N4CCC[C@H]4CN)nc(C)nc32)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.52
PDK2 Q15119 3/20 0.39
PDK4 Q16654 2/20 0.39
NPY5R Q15761 3/20 0.35
MAP2K7 O14733 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7674376 0.78 CRHR1 (0.50) CRHR1
SCHEMBL7682520 0.77 CRHR1 (0.56) CRHR1KDM4EHPGDMEN1KMT2A
SCHEMBL1637888 0.77 CRHR1 (0.49) CRHR1MAP2K7
SCHEMBL7681774 0.76 CRHR1 (0.48) CRHR1PDK2PDK4MAP2K7MEN1
SCHEMBL7682689 0.75 CRHR1 (0.51) CRHR1NPY5RCYP3A4
SCHEMBL7678166 0.74 CRHR1 (0.41) CRHR1KDM4EHPGDMEN1LMNA
SCHEMBL7681407 0.74 CRHR1 (0.54) CRHR1KDM4EHPGDMEN1KMT2A
SCHEMBL7674966 0.73 CRHR1 (0.54) CRHR1
SCHEMBL7783143 0.72 CRHR1 (0.51) CRHR1
SCHEMBL7783145 0.72 CRHR1 (0.51) CRHR1

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-6362186-B1 PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2002-03-26 US claimed
US-6362186-B1 PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2002-03-26 US disclosed
US-6147085-A Aminoalkyl substituted 9H-pyridino[2,3-b] indole and 9H-pyrimidino[4,5-b] indole derivatives NEUROGEN CORPORATION (US) 2000-11-14 US disclosed