SCHEMBL3947720

SCHEMBL3947720

CC(NC(=O)C1CCCC1)C(C)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
CCR1 P32246 17/20 0.58
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL2159586 0.88 CCR1 (0.74) MEN1KMT2ACCR1
SCHEMBL2159581 0.88 CCR1 (0.74) MEN1KMT2ACCR1
SCHEMBL10292006 0.83 CCR1 (0.73) CCR1
SCHEMBL3944264 0.83 CCR1 (0.61) CCR1
SCHEMBL3941668 0.80 CCR1 (0.78) CCR1
SCHEMBL3950012 0.80 CCR1 (0.55) CCR1
SCHEMBL3943882 0.78 DRD2 (0.59) MEN1KMT2ACCR1SMN1; SMN2
SCHEMBL3943453 0.77 CCR1 (0.66) CCR1
SCHEMBL2159527 0.77 CCR1 (0.69) KMT2ACCR1
SCHEMBL2159533 0.77 CCR1 (0.69) KMT2ACCR1

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