SCHEMBL14371024

SCHEMBL14371024

O=C(c1ccccc1)N1C[C@H](CN2CCC3(CC2)CCN(Cc2ccc(Br)cc2)C3=O)[C@@H](c2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 16/20 0.56
RIPK1 Q13546 3/20 0.48

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
SCHEMBL2338626 1.00 CCR5 (0.56) CCR5RIPK1
Hydrochloric Acid SCHEMBL2334551 0.99 CCR5 (0.55) CCR5RIPK1
SCHEMBL14371061 0.95 CCR5 (0.60) CCR5RIPK1
SCHEMBL14371065 0.95 CCR5 (0.50) CCR5RIPK1
SCHEMBL2338582 0.95 CCR5 (0.60) CCR5RIPK1
SCHEMBL2339380 0.95 CCR5 (0.50) CCR5RIPK1
Hydrochloric Acid SCHEMBL2343459 0.94 CCR5 (0.49) CCR5RIPK1
Hydrochloric Acid SCHEMBL2341269 0.94 CCR5 (0.59) CCR5RIPK1
SCHEMBL2339275 0.93 CCR5 (0.60) CCR5RIPK1
SCHEMBL2335077 0.93 CCR5 (0.61) CCR5RIPK1

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
US-7288548-B2 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2007-10-30 US disclosed
US-7288548-B2 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA, INC. (CA) 2007-10-30 US disclosed