SCHEMBL30157407

SCHEMBL30157407

Cc1cccc(CN2C(=O)CCC2CC(=O)NC2CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.47
▸ DRD4 P21917 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ GFER P55789 1/20 0.42
▸ DCUN1D1 Q96GG9 2/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ UBE2M P61081 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL30157864 0.87 SIGMAR1 (0.54) BRD4KMT2A
SCHEMBL30157712 0.86 KMT2A (0.57) BRD4KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL30158626 0.85 ALDH1A1 (0.49) BRD4KMT2AGFERCYP3A4
SCHEMBL21183573 0.82 KMT2A (0.47) BRD4DRD4KMT2AGFERCYP3A4
SCHEMBL30157807 0.81 TSHR (0.47) LMNAKMT2A
SCHEMBL30158924 0.81 ITGB1 (0.52) —
SCHEMBL30157408 0.81 SIGMAR1 (0.51) LMNAKMT2A
SCHEMBL30157904 0.81 P2RX7 (0.44) LMNAKMT2ACYP2C9CYP2C19
SCHEMBL30157737 0.81 EPHX2 (0.56) KMT2A
SCHEMBL30157493 0.80 P2RX7 (0.54) DRD4LMNAKMT2ACYP2C9CYP2C19

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
WO-2022268520-A1 USE OF SUBSTITUTED PYRROLIDINONES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 — — WO disclosed
Send feedback