SCHEMBL30157864

SCHEMBL30157864

O=C(CC1CCC(=O)N1Cc1cccc(F)c1)NC1CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.54
▸ NPC1 O15118 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ BRD4 O60885 1/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ P2RX7 Q99572 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ PKM P14618 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CCR3 P51677 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43

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
SCHEMBL30157407 0.87 BRD4 (0.47) KMT2ABRD4
SCHEMBL30157408 0.85 SIGMAR1 (0.51) SIGMAR1KMT2AP2RX7ALDH1A1TSHR
SCHEMBL31705306 0.85 KMT2A (0.48) SIGMAR1NPC1KMT2ARAB9AP2RX7
SCHEMBL30157643 0.84 SIGMAR1 (0.42) SIGMAR1NPC1KMT2ARAB9AP2RX7
SCHEMBL30157505 0.84 KMT2A (0.45) SIGMAR1NPC1KMT2ARAB9AP2RX7
SCHEMBL30157854 0.84 KMT2A (0.47) SIGMAR1NPC1KMT2ARAB9AP2RX7
SCHEMBL31705797 0.83 KMT2A (0.48) SIGMAR1NPC1KMT2ARAB9AP2RX7
SCHEMBL30157523 0.83 KMT2A (0.48) SIGMAR1NPC1KMT2ARAB9AP2RX7
SCHEMBL31706402 0.81 ITGB1 (0.43) SIGMAR1NPC1KMT2ARAB9AP2RX7
SCHEMBL31706325 0.81 ALDH1A1 (0.43) SIGMAR1NPC1KMT2ARAB9AP2RX7

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
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