SCHEMBL13788728

SCHEMBL13788728

CCC1(CCN(C)C)CNc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
KDM1A O60341 1/20 0.33
POLB P06746 1/20 0.31
MLNR O43193 1/20 0.31
NR1I2 O75469 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRB1 P08588 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD1 P21728 1/20 0.31

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
SCHEMBL13788727 0.84 CARM1 (0.41) LMNAKMT2A
SCHEMBL6882141 0.84 POLB (0.37) CYP1A2KMT2AKDM1APOLBHTR2C
SCHEMBL11641093 0.81 CDC7 (0.40) LMNAKMT2AMLNRNR1I2CHRM2
SCHEMBL13788693 0.80 SLC6A2 (0.35) LMNACYP2D6CYP1A2KMT2AKDM4E
SCHEMBL8529944 0.79 LMNA (0.31) LMNAHTR1AHTR2AHTR2CHTR2B
SCHEMBL11805576 0.77 KDM1A (0.34) KDM1APOLBADRA2AADRA2BADRA2C
SCHEMBL11645508 0.71 UTS2R (0.34) LMNAMLNRNR1I2CHRM2ADRB1
SCHEMBL13849307 0.71 KDM1A (0.33) KDM1AHTR2ABRD4
SCHEMBL11730098 0.71 ALOX12 (0.33) LMNACYP2D6KMT2AKDM4EPKM
SCHEMBL8524367 0.69 KDM1A (0.33) KDM4EKDM1AOPRM1BRD4

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-1750704-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2009-07-22 EP disclosed