SCHEMBL7986389

SCHEMBL7986389

O=C1NC(=O)c2c(CCCN3CCN(Cc4ccccc4)CC3)cccc21

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL7986525 0.96 CCR3 (0.56) CCR3ADRA1DADRA1AADRA1B
SCHEMBL7986154 0.86 HTR1A (0.53) SIGMAR1
SCHEMBL7971599 0.84 CCR3 (0.54) CCR3SIGMAR1
SCHEMBL7983420 0.82 HTR1A (0.55) SIGMAR1
SCHEMBL7989675 0.81 SIGMAR1 (0.54) KMT2ASIGMAR1
SCHEMBL7971720 0.81 CCR3 (0.59) CCR3SIGMAR1
SCHEMBL23142609 0.81 CCNE2 (0.43) SIGMAR1
SCHEMBL3174237 0.80 CHEK1 (0.47) SIGMAR1
SCHEMBL8557009 0.80 CHEK1 (0.47) SIGMAR1
SCHEMBL8828516 0.80 DRD2 (0.51) KDM4EALDH1A1ADRA1DADRA1AADRA1B

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
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
US-5786371-A INHIBIT AGGREGATION OF BLOOD PLATELETS BOEHRINGER MANNHEIM GMBH (DE) 1998-07-28 US disclosed