Sugi Predict

Sugi Predict / Compounds / SCHEMBL6615034

SCHEMBL6615034

SCHEMBL6615034

Cc1nn(-c2ccccc2)c(C)c1CN1CCC2(CC1)C(=O)NC(CC(C)C)C(=O)N2Cc1ccncc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 20/20 0.65
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50

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
SCHEMBL6012398 0.95 CCR5 (0.72) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL6613627 0.93 CCR5 (0.66) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL6612925 0.92 CCR5 (0.62) CCR5
SCHEMBL6610385 0.90 CCR5 (0.64) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL6617250 0.90 CCR5 (0.64) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL14404701 0.90 CCR5 (0.64) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL6013012 0.89 CCR5 (0.63) CCR5
SCHEMBL6613309 0.88 CCR5 (0.57) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL6012823 0.88 CCR5 (0.59) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL6012876 0.88 CCR5 (0.68) CCR5CYP3A4CYP2D6CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1236726-B1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-12-01 — — EP disclosed
EP-1236726-A1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-09-04 — — EP disclosed