SCHEMBL5789702

SCHEMBL5789702

CCC(N)C(N)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.59
LMNA P02545 2/20 0.48
F2 P00734 1/20 0.46
TAAR1 Q96RJ0 3/20 0.43
HTR2A P28223 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL27544533 0.98 DPP4 (0.56) DPP4LMNAF2TAAR1HTR2A
SCHEMBL13822592 0.86 DPP4 (0.59) DPP4LMNAF2TAAR1HTR2A
Hydrochloric Acid SCHEMBL11571128 0.84 DPP4 (0.56) DPP4LMNAF2TAAR1HTR2A
SCHEMBL28416425 0.82 DPP4 (0.54) DPP4LMNAF2TAAR1HTR2A
SCHEMBL26923438 0.81 TACR1 (0.50) DPP4LMNAF2TAAR1HTR2A
SCHEMBL7275229 0.79 DPP4 (0.56) DPP4LMNAF2TAAR1HTR2A
SCHEMBL2192530 0.79 DPP4 (0.56) DPP4LMNAF2TAAR1ADRA2A
SCHEMBL8241991 0.79 ADRB2 (0.54) LMNAHIF1AKDM4E
SCHEMBL2768382 0.79 ADRB2 (0.54) LMNAHIF1AKDM4E
SCHEMBL10159454 0.79 TAAR1 (0.46) DPP4LMNAF2TAAR1ADRA2A

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-1633348-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP claimed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO claimed