SCHEMBL30158586

SCHEMBL30158586

O=C(O)CC1CCC(=O)N1Cc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 3/20 0.49
▸ GAA P10253 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HCRTR1 O43613 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ P2RX7 Q99572 1/20 0.44
▸ MAPT P10636 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
SCHEMBL31706028 0.87 ITGB1 (0.47) HCRTR2POLBTSHRCYP2C19HCRTR1
SCHEMBL30158549 0.86 KMT2A (0.44) HCRTR2GAATSHRCYP2D6CYP2C19
SCHEMBL30158802 0.86 P2RX7 (0.39) HCRTR2GAAPOLBTSHRALOX15
SCHEMBL30158532 0.86 KMT2A (0.56) GAACYP2C19KMT2AHTTMEN1
SCHEMBL30158611 0.85 ALDH1A1 (0.50) HCRTR2GAAPOLBTSHRKMT2A
SCHEMBL30158699 0.85 ALDH1A1 (0.50) HCRTR2GAAPOLBTSHRKMT2A
SCHEMBL31705306 0.84 KMT2A (0.48) HCRTR2KMT2AMEN1HCRTR1P2RX7
SCHEMBL30158670 0.83 PTGER2 (0.49) POLBKMT2AHTTMEN1ALDH1A1
SCHEMBL30158686 0.82 MDM2 (0.38) HCRTR2TSHRKMT2AHCRTR1ALDH1A1
SCHEMBL30158432 0.81 KMT2A (0.43) KMT2AMEN1ALDH1A1

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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