SCHEMBL27989692

SCHEMBL27989692

O=C(OCc1ccc(F)cc1)C1CCCN1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 14/20 0.54
▸ ALDH1A1 P00352 1/20 0.48
▸ THRB P10828 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ FABP7 O15540 1/20 0.45
▸ FABP5 Q01469 1/20 0.45

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
SCHEMBL11443635 0.88 FKBP1A (0.67) FKBP1A
SCHEMBL28351585 0.88 FKBP1A (0.67) FKBP1A
SCHEMBL28271980 0.87 FKBP1A (0.57) FKBP1AALDH1A1KMT2A
SCHEMBL28869058 0.86 KDM4E (0.53) FKBP1AALDH1A1
SCHEMBL27989822 0.85 FKBP1A (0.53) FKBP1A
SCHEMBL28957118 0.85 FKBP1A (0.58) FKBP1AALDH1A1
SCHEMBL28811887 0.84 FKBP1A (0.73) FKBP1A
SCHEMBL3786414 0.84 FKBP1A (0.73) FKBP1A
SCHEMBL10937154 0.82 KMT2A (0.55) ALDH1A1THRBALOX12KMT2A
SCHEMBL9650151 0.82 KDM4E (0.56) FKBP1AALDH1A1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109232713-A Nmda receptor regulator and application thereof 西北大学 2019-01-18 — — CN disclosed
CN-104321071-A Nmda receptor modulators and uses thereof UNIV NORTHWESTERN 2015-01-28 — — CN disclosed
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