SCHEMBL7680077

SCHEMBL7680077

Cc1cc(C)c(-n2c3ccccc3c3c(N(CCN4CCCC4)C4CC4)nc(C)nc32)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.57
TDP1 Q9NUW8 2/20 0.37
ABCB1 P08183 2/20 0.35

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
SCHEMBL7556361 0.87 CRHR1 (0.60) CRHR1TDP1
SCHEMBL7681592 0.85 CRHR1 (0.58) CRHR1TDP1ABCB1
SCHEMBL7684158 0.79 CRHR1 (0.55) CRHR1TDP1
SCHEMBL226802 0.76 CRHR1 (0.77) CRHR1TDP1
SCHEMBL7791101 0.75 CRHR1 (0.48) CRHR1ABCB1
SCHEMBL7684145 0.74 CRHR1 (0.54) CRHR1ABCB1
SCHEMBL7559415 0.73 CRHR1 (0.70) CRHR1TDP1
SCHEMBL7684260 0.73 CRHR1 (0.48) CRHR1ABCB1
SCHEMBL7677447 0.73 CRHR1 (0.53) CRHR1TDP1ABCB1
SCHEMBL7676298 0.73 CRHR1 (0.48) CRHR1ABCB1

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