SCHEMBL7678166

SCHEMBL7678166

Cc1cc(C)c(-n2c3ccccc3c3c(N4CCC[C@H]4CN4CCCC4)cc(C)nc32)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.41
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NCF1 P14598 1/20 0.32
ABCB1 P08183 2/20 0.32
EGLN2 Q96KS0 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
AR P10275 1/20 0.31
HTR6 P50406 2/20 0.31

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
SCHEMBL7675191 0.85 CRHR1 (0.39) CRHR1KDM4EMEN1LMNAHPGD
SCHEMBL7674360 0.85 CRHR1 (0.39) CRHR1KDM4EMEN1LMNAHPGD
SCHEMBL7674433 0.77 NCF1 (0.41) CRHR1KDM4EHPGDKMT2AL3MBTL1
SCHEMBL7681552 0.76 NCF1 (0.52) CRHR1KDM4ELMNAHPGDNCF1
SCHEMBL7679938 0.76 CRHR1 (0.47) CRHR1NCF1
SCHEMBL7677559 0.74 CRHR1 (0.45) CRHR1KDM4ELMNAKMT2ANCF1
SCHEMBL7684787 0.74 NCF1 (0.55) CRHR1NCF1HTR6
SCHEMBL7679988 0.74 CRHR1 (0.43) CRHR1NCF1HTR6
SCHEMBL7684967 0.74 CRHR1 (0.52) CRHR1KDM4EMEN1LMNAHPGD
SCHEMBL7677573 0.73 CRHR1 (0.39) 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-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 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