SCHEMBL9535638

SCHEMBL9535638

COC(=O)OC1CCCN1C(=O)Cc1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.39
GPR35 Q9HC97 4/20 0.38
CCR1 P32246 2/20 0.37
RHOC P08134 1/20 0.37
RHOA P61586 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRK1 P41145 1/20 0.36

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
SCHEMBL9536801 0.88 POLB (0.39) OPRK1
SCHEMBL9539291 0.86 KMT2A (0.44) TACR1MEN1KMT2ASMN1; SMN2OPRK1
SCHEMBL9727478 0.83 ALDH1A1 (0.51) CCR1RHOCRHOAMAPTSMN1; SMN2
SCHEMBL9538045 0.83 DRD1 (0.48) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9535443 0.81 KMT2A (0.43) TACR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9534996 0.80 OPRK1 (0.40) OPRK1
SCHEMBL9537325 0.78 ACE (0.43) CCR1RHOCRHOAKMT2ACYP2C19
SCHEMBL9537713 0.78 KMT2A (0.55) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9535584 0.77 SMN1; SMN2 (0.38) KMT2ASMN1; SMN2
SCHEMBL9535862 0.77 ALDH1A1 (0.39) MEN1KMT2A

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-0355599-B1 3-ARYL-PYRROLIDINE-2,4-DIONES BAYER AG (DE) 1993-05-19 EP disclosed
EP-0355599-A1 3-Aryl-pyrrolidine-2,4-diones BAYER AG (DE) 1990-02-28 EP disclosed