SCHEMBL7656463

SCHEMBL7656463

NC(=O)N(CCc1ccccc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
CCR3 P51677 1/20 0.58
ALDH1A1 P00352 1/20 0.55
ACHE P22303 7/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
OPRM1 P35372 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL7502277 0.81 CCR3 (0.58) GAACCR3ACHEMEN1KMT2A
SCHEMBL7505057 0.79 OPRM1 (0.55) CCR3MEN1KMT2AOPRM1
SCHEMBL6153849 0.78 GAA (1.00) GAACCR3ALDH1A1MEN1KMT2A
SCHEMBL7503617 0.78 CCR3 (0.51) GAACCR3ACHEMEN1KMT2A
SCHEMBL22549603 0.77 CCR3 (0.77) GAACCR3ALDH1A1MEN1KMT2A
SCHEMBL2004615 0.76 CCR3 (1.00) GAACCR3ALDH1A1ACHEMEN1
SCHEMBL6153469 0.76 GAA (0.80) GAACCR3ALDH1A1MEN1KMT2A
Fumaric Acid SCHEMBL9253101 0.75 CCR3 (0.60) GAACCR3ALDH1A1MEN1KMT2A
Fumaric Acid SCHEMBL9253095 0.75 CCR3 (0.60) GAACCR3ALDH1A1MEN1KMT2A
SCHEMBL7497962 0.75 GAA (0.60) GAACCR3ALDH1A1ACHEMEN1

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
US-6492400-B1 SUCH AS N-(2,5-DIFLUOROPHENYL)-N'-(2-((4-(PHENYLMETHYL)-1 -PIPERIDINYL)METHYL)PHENYL)UREA; PREVENTION OF ASTHMA AND OTHER ALLERGIC DISEASES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-10 US disclosed