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Sugi Predict / Compounds / SCHEMBL7677573

SCHEMBL7677573

SCHEMBL7677573

Cc1cc(C)c(-n2c3ccccc3c3c(N4CCC(NC5CCCC5)C4)cc(C)nc32)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.39
▸ OPRK1 P41145 9/20 0.37
▸ SMPD3 Q9NY59 2/20 0.36
▸ NR3C1 P04150 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
SCHEMBL7677542 0.84 CRHR1 (0.39) CRHR1SMPD3
SCHEMBL7679988 0.84 CRHR1 (0.43) CRHR1OPRK1SMPD3
SCHEMBL7674433 0.80 NCF1 (0.41) CRHR1
SCHEMBL7679938 0.79 CRHR1 (0.47) CRHR1
SCHEMBL7677559 0.78 CRHR1 (0.45) CRHR1
SCHEMBL7674360 0.78 CRHR1 (0.39) CRHR1
SCHEMBL7675191 0.78 CRHR1 (0.39) CRHR1
SCHEMBL7681552 0.78 NCF1 (0.52) CRHR1
SCHEMBL7684787 0.76 NCF1 (0.55) CRHR1
SCHEMBL7674366 0.75 CRHR1 (0.40) 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