SCHEMBL30157885

SCHEMBL30157885

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.60
▸ POLB P06746 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ SIGMAR1 Q99720 2/20 0.45
▸ PTGER4 P35408 3/20 0.45
▸ PTGER3 P43115 3/20 0.45
▸ PTGER2 P43116 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 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
SCHEMBL30157636 0.86 P2RX7 (0.56) P2RX7POLBNPC1RAB9AKMT2A
SCHEMBL30157458 0.85 P2RX7 (0.52) P2RX7NPC1RAB9AKMT2ASIGMAR1
SCHEMBL30158065 0.84 SIGMAR1 (0.53) P2RX7POLBKMT2ASIGMAR1PTGER4
SCHEMBL30157822 0.84 P2RX7 (0.52) P2RX7KMT2AMEN1
SCHEMBL30157538 0.82 P2RX7 (0.48) P2RX7NPC1RAB9AKMT2ASIGMAR1
SCHEMBL30157596 0.79 P2RX7 (0.48) P2RX7NPC1RAB9AKMT2APTGER4
SCHEMBL1611778 0.78 P2RX7 (0.60) P2RX7POLBKMT2ASIGMAR1PTGER4
SCHEMBL30157678 0.78 KMT2A (0.60) POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL289453 0.78 P2RX7 (0.60) P2RX7POLBKMT2ASIGMAR1PTGER4
SCHEMBL24718666 0.77 P2RX7 (0.49) P2RX7POLBNPC1RAB9AKMT2A

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