Sugi Predict

Sugi Predict / Compounds / SCHEMBL7684158

SCHEMBL7684158

SCHEMBL7684158

CCN(c1nc(C)nc2c1c1ccccc1n2-c1c(C)cc(C)cc1C)C1CCN(NC2CCCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 16/20 0.55
▸ TDP1 Q9NUW8 2/20 0.36
▸ FPR3 P25089 1/20 0.33
▸ TSPO P30536 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33

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
SCHEMBL7684159 0.79 CRHR1 (0.44) CRHR1
SCHEMBL7680077 0.79 CRHR1 (0.57) CRHR1TDP1
SCHEMBL7556361 0.78 CRHR1 (0.60) CRHR1TDP1
SCHEMBL7788898 0.74 CRHR1 (0.48) CRHR1TDP1
SCHEMBL226802 0.72 CRHR1 (0.77) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL7681407 0.72 CRHR1 (0.54) CRHR1TDP1
SCHEMBL7791098 0.71 CRHR1 (0.47) CRHR1TDP1
SCHEMBL7788903 0.71 CRHR1 (0.49) CRHR1TDP1
SCHEMBL7788172 0.70 CRHR1 (0.46) CRHR1TDP1
SCHEMBL7783143 0.69 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