SCHEMBL25225367

SCHEMBL25225367

O=C(O)N[C@H]1CCN(C(=O)Cc2ccc(F)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ PKM P14618 2/20 0.55
▸ MLNR O43193 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ MC4R P32245 2/20 0.52
▸ SIGMAR1 Q99720 2/20 0.51
▸ POLB P06746 2/20 0.50
▸ KCNH2 Q12809 1/20 0.49
▸ TACR3 P29371 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ CCR3 P51677 1/20 0.47
▸ ME2 P23368 1/20 0.46
▸ ME1 P48163 1/20 0.46
▸ ME3 Q16798 1/20 0.46
▸ EPHX2 P34913 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 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
SCHEMBL23573298 0.92 PKM (0.63) ALDH1A1SMN1; SMN2PKMMLNRCYP3A4
SCHEMBL4363650 0.83 EPHX2 (0.56) ALDH1A1KCNH2EPHX2
SCHEMBL4363653 0.83 EPHX2 (0.56) ALDH1A1KCNH2EPHX2
SCHEMBL30457606 0.82 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2PKMMLNRCYP3A4
SCHEMBL23573463 0.79 L3MBTL1 (0.66) ALDH1A1SIGMAR1POLBTACR3ME3
SCHEMBL22233497 0.78 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2PKMSIGMAR1MAPT
SCHEMBL25225211 0.78 SMN1; SMN2 (0.63) ALDH1A1SMN1; SMN2PKMMLNRCYP3A4
Hydrochloric Acid SCHEMBL30457707 0.77 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2PKMMLNRCYP3A4
SCHEMBL13701287 0.76 L3MBTL1 (0.75) ALDH1A1SMN1; SMN2PKMPOLBMAPT
SCHEMBL25272696 0.76 MC4R (0.70) ALDH1A1SMN1; SMN2PKMMLNRCYP3A4

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-2023105387-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2023-06-15 — — WO disclosed
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