SCHEMBL6973199

SCHEMBL6973199

CN(Cc1ccncc1)c1cn(Cc2ccc(Cl)cc2)nc1CN1CCC(c2ccccc2)(c2ccccc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
LSS P48449 1/20 0.36
CCR3 P51677 1/20 0.36
OPRL1 P41146 2/20 0.36
OPRM1 P35372 1/20 0.36
ALDH1A1 P00352 4/20 0.35
DRD4 P21917 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ESR1 P03372 1/20 0.33

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
SCHEMBL6966767 0.79 LSS (0.37) CYP3A4CYP2D6CYP2C9TSHRUSP2
SCHEMBL6967328 0.77 CCR3 (0.36) CYP2D6TSHRCCR3OPRL1OPRM1
SCHEMBL6976709 0.76 CCR3 (0.45) CYP3A4CYP2D6CYP2C9TSHRCCR3
SCHEMBL6968225 0.76 SMN1; SMN2 (0.42) CCR3OPRL1ALDH1A1DRD4LMNA
SCHEMBL6967295 0.76 CCR3 (0.42) CCR3OPRL1ALDH1A1DRD4SIGMAR1
SCHEMBL6973584 0.72 SIGMAR1 (0.40) CCR3ALDH1A1DRD4SIGMAR1KDM4E
SCHEMBL6969244 0.72 CHKA (0.45) ALDH1A1DRD4SIGMAR1KDM4EDRD2
SCHEMBL6977411 0.72 CCR3 (0.41) CCR3OPRL1ALDH1A1DRD4LMNA
SCHEMBL6976116 0.72 CCR3 (0.46) CCR3OPRL1OPRM1ALDH1A1DRD4
SCHEMBL6975673 0.72 CYP2D6 (0.45) CYP2D6TSHRCCR3ALDH1A1DRD4

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-1202984-B1 DIPHENYL-PIPERIDINE DERIVATE ASTRAZENECA UK LTD (GB) 2003-03-05 EP claimed