SCHEMBL2484589

SCHEMBL2484589

CCC1NCCc2cc(N)ccc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.49
ADRB2 P07550 4/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
PRCP P42785 2/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SLC22A1 O15245 1/20 0.40
OPRM1 P35372 1/20 0.39
MEN1 O00255 1/20 0.38
ABL1 P00519 1/20 0.38
ALPL P05186 1/20 0.38
KMT2A Q03164 1/20 0.38
RIN1 Q13671 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL7513639 0.87 TBXA2R (0.49) TBXA2RADRB2ADRB1ADRB3PRCP
Hydrochloric Acid SCHEMBL7510358 0.86 TBXA2R (0.48) TBXA2RADRB2ADRB1ADRB3PRCP
SCHEMBL31173394 0.81 PNMT (0.46) ADRB2ADRB1ADRB3PRCPGAA
SCHEMBL1010297 0.81 HTR2A (0.50) ADRB2ADRB1ADRB3PRCPGAA
SCHEMBL4166735 0.78 MAOA (0.54) TBXA2RKDM4EDRD2DRD4
SCHEMBL16455043 0.76 PRCP (0.68) PRCPGAAKDM4ESLC22A1OPRM1
SCHEMBL29768301 0.76 PRCP (0.68) PRCPGAAKDM4ESLC22A1OPRM1
SCHEMBL1011090 0.76 PRCP (0.68) PRCPGAAKDM4ESLC22A1OPRM1
SCHEMBL10226238 0.76 PRCP (0.68) PRCPGAAKDM4ESLC22A1OPRM1
SCHEMBL13171804 0.75 ADRB2 (0.46) TBXA2RADRB2ADRB1ADRB3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
CN-1396833-A Integrin expression inhibitors EISAI CO LTD (JP) 2003-02-12 CN disclosed