SCHEMBL2775973

SCHEMBL2775973

CC(C)[C@H](NC(=O)O)C(=O)N1CCC(Oc2cnc(-c3ccccc3)nc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.45
KCNH2 Q12809 1/20 0.45
SRD5A1 P18405 1/20 0.44
LMNA P02545 2/20 0.44
NAMPT P43490 2/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
SLC5A7 Q9GZV3 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2779821 0.85 CCR1 (0.47) CCR1KCNH2NAMPTTSHRKMT2A
SCHEMBL2776637 0.85 CCR1 (0.45) CCR1KCNH2
SCHEMBL2775860 0.85 CCR1 (0.42) CCR1KCNH2SRD5A1LMNAALDH1A1
SCHEMBL2776309 0.84 ACACB (0.46) CCR1SRD5A1LMNANAMPTALDH1A1
Hydrochloric Acid SCHEMBL2776438 0.83 SRD5A1 (0.46) SRD5A1NAMPTALDH1A1POLBKMT2A
SCHEMBL2773592 0.82 P2RX3 (0.46)
SCHEMBL2779095 0.82 CCR1 (0.48) CCR1KCNH2
SCHEMBL2775987 0.82 ACACB (0.42) CCR1POLB
SCHEMBL2776784 0.82 CHRM4 (0.45) LMNANAMPTPOLB
SCHEMBL2777086 0.81 EPHX2 (0.53) CCR1KCNH2NAMPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258697-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-08 EP disclosed