SCHEMBL29040325

SCHEMBL29040325

O=CC1CCN(c2nc(-c3ccccc3)no2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.47
▸ MAPT P10636 7/20 0.45
▸ LMNA P02545 4/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ TP53 P04637 3/20 0.43
▸ THRB P10828 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HSD11B1 P28845 2/20 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
SCHEMBL12506166 0.82 GPR119 (0.51) FAAHMAPTLMNAMEN1KMT2A
SCHEMBL12490134 0.80 FAAH (0.47) FAAHMAPTLMNAMEN1KMT2A
SCHEMBL12490987 0.77 FAAH (0.50) FAAHMAPTLMNATHRBHTT
SCHEMBL27814281 0.77 HTT (0.58) FAAHMAPTLMNAKDM4EHTT
SCHEMBL4227209 0.77 NOTUM (0.44) FAAHLMNAHSD11B1
SCHEMBL17115053 0.76 FAAH (0.48) FAAHKMT2APOLBALDH1A1HTT
SCHEMBL20116402 0.75 MAPT (0.58) FAAHMAPTLMNATP53THRB
SCHEMBL20116655 0.74 SMN1; SMN2 (0.54) MAPTLMNAMEN1KMT2ATP53
SCHEMBL8271752 0.74 LMNA (0.46) FAAHLMNAPOLBALDH1A1HSD11B1
SCHEMBL4234552 0.74 SMN1; SMN2 (0.48) FAAHMAPTLMNAMEN1KMT2A

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-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 — — CN disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 — — CN disclosed
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