SCHEMBL9514799

SCHEMBL9514799

C=CCN(C)c1c[c]ccc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.33
PYCR1 P32322 1/20 0.32
CDK1 P06493 1/20 0.30
CDK5 Q00535 1/20 0.30

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
SCHEMBL3249889 0.81 CHKA (0.36)
SCHEMBL11794334 0.78 ESR1 (0.31)
SCHEMBL3290812 0.77 PYCR1 (0.35) DHFRPYCR1
SCHEMBL4467275 0.77 ADRA2A (0.35)
SCHEMBL1257194 0.77 CA12 (0.42) DHFRPYCR1
SCHEMBL900235 0.76 TSHR (0.38)
SCHEMBL8611414 0.75 DHFR (0.39) DHFRPYCR1
SCHEMBL3707752 0.74 NOS1 (0.34)
SCHEMBL8667138 0.74 MAPT (0.31)
SCHEMBL11501045 0.74 PYCR1 (0.41) DHFRPYCR1CDK1CDK5

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-0379423-B1 PROCESS FOR THE PREPARATION OF PHENYLPROPIONIC ACID BOUCHARA S.A. (FR) 1993-06-23 EP disclosed
CN-1058206-A Produce the novel method of benzyl propionate derivant BOUCHARA SA (FR) 1992-01-29 CN disclosed
EP-0379423-A1 Process for the preparation of phenylpropionic acid BOUCHARA S.A. (FR) 1990-07-25 EP disclosed