SCHEMBL9537325

SCHEMBL9537325

O=C(O)[C@@H]1CCCN1C(=O)Cc1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.43
RHOC P08134 1/20 0.43
RHOA P61586 1/20 0.43
MCL1 Q07820 1/20 0.40
CCR1 P32246 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
DPP4 P27487 1/20 0.40
OPRD1 P41143 1/20 0.39
DGAT1 O75907 1/20 0.39
LMNA P02545 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9727478 0.86 ALDH1A1 (0.51) RHOCRHOACCR1DPP4LMNA
SCHEMBL9727534 0.81 ALDH1A1 (0.54) OPRD1HSD17B10KMT2A
SCHEMBL9538251 0.81 DRD1 (0.50) ACECHRM2CHRM4CHRM1CHRM3
SCHEMBL9535638 0.78 TACR1 (0.39) RHOCRHOACCR1CYP2C19KMT2A
SCHEMBL9727211 0.76 KDM4E (0.51) HSD17B10KMT2A
SCHEMBL1534220 0.74 RHOC (0.62) RHOCRHOADGAT1
SCHEMBL9539291 0.74 KMT2A (0.44) OPRD1KMT2A
SCHEMBL26124183 0.73 P2RX7 (0.59) ACEDPP4CYP2C19THRBALOX12
SCHEMBL26124386 0.73 P2RX7 (0.59) ACEDPP4CYP2C19THRBALOX12
SCHEMBL9536140 0.73 ALDH1A1 (0.57) ACEDPP4LMNACYP2C19HSD17B10

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 5 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
US-5142065-A Intermediates for herbicides, fungicides, miticides and insecticides BAYER AKTIENGESELLSCHAFT (DE) 1992-08-25 US disclosed
US-5091537-A Acylamino acid ester derivatives; insecticide, fungicide, herbicide, acaricide, and antimycotic agent BAYER AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
US-4985063-A INSECTICIDES, MITICIDES, HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1991-01-15 US disclosed
EP-0355599-A1 3-Aryl-pyrrolidine-2,4-diones BAYER AG (DE) 1990-02-28 EP disclosed