SCHEMBL3940996

SCHEMBL3940996

CC(NC(=O)c1ccccc1)C(C)C(=O)N1CCC(C#N)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 17/20 0.67
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
OPRM1 P35372 1/20 0.46
KCNH2 Q12809 1/20 0.45

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
SCHEMBL2158770 0.88 CCR1 (0.74) CCR1KCNH2
SCHEMBL2158768 0.88 CCR1 (0.74) CCR1KCNH2
SCHEMBL3941668 0.86 CCR1 (0.78) CCR1KCNH2
SCHEMBL3007118 0.80 CCR1 (1.00) CCR1
SCHEMBL3007113 0.80 CCR1 (1.00) CCR1
SCHEMBL3943809 0.80 CCR1 (1.00) CCR1
SCHEMBL3949634 0.76 CCR1 (0.61) CCR1KCNH2
SCHEMBL3945220 0.75 CCR1 (0.78) CCR1NPC1OPRM1
SCHEMBL3946317 0.75 CCR1 (0.78) CCR1ALDH1A1SMN1; SMN2OPRM1
SCHEMBL3941358 0.75 CCR1 (0.76) CCR1KCNH2

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-2049486-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2009-04-22 EP disclosed
WO-2007092681-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed