SCHEMBL7681774

SCHEMBL7681774

CNC1CCN(c2nc(C)nc3c2c2ccccc2n3-c2c(C)cc(C)cc2C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.48
HRH4 Q9H3N8 3/20 0.36
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
NPY1R P25929 1/20 0.34
HTT P42858 1/20 0.34
NPY2R P49146 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL1637888 0.85 CRHR1 (0.49) CRHR1MAP2K7
SCHEMBL7674376 0.84 CRHR1 (0.50) CRHR1HRH4OPRK1
SCHEMBL7682689 0.83 CRHR1 (0.51) CRHR1TSHRCYP2D6
SCHEMBL7682520 0.79 CRHR1 (0.56) CRHR1HRH4MEN1KMT2AALDH1A1
SCHEMBL7681407 0.78 CRHR1 (0.54) CRHR1MAPTTP53MEN1KMT2A
SCHEMBL7684967 0.76 CRHR1 (0.52) CRHR1PDK2PDK4LMNAMEN1
SCHEMBL7560969 0.74 CRHR1 (0.59) CRHR1
SCHEMBL7557048 0.74 CRHR1 (0.52) CRHR1MEN1KMT2A
SCHEMBL7788898 0.74 CRHR1 (0.48) CRHR1MAPTLMNATP53MEN1
SCHEMBL7555469 0.73 CRHR1 (0.58) 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