SCHEMBL25225211

SCHEMBL25225211

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

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ POLB P06746 2/20 0.55
▸ CACNA1B Q00975 2/20 0.54
▸ PKM P14618 2/20 0.50
▸ ME2 P23368 1/20 0.50
▸ ME1 P48163 1/20 0.50
▸ ME3 Q16798 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HSD11B1 P28845 1/20 0.49
▸ TACR3 P29371 1/20 0.49
▸ ALOX12 P18054 1/20 0.48
▸ MLNR O43193 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP19A1 P11511 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
Hydrochloric Acid SCHEMBL30457707 0.99 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1POLBCACNA1BPKM
SCHEMBL14115762 0.91 POLB (0.61) SMN1; SMN2ALDH1A1POLBCACNA1BPKM
SCHEMBL27713178 0.85 ALDH1A1 (0.67) ALDH1A1POLBME2ME1ME3
SCHEMBL2539421 0.81 HRH3 (0.56) ALDH1A1
SCHEMBL2539413 0.81 HRH3 (0.56) ALDH1A1
SCHEMBL31381166 0.79 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1POLBPKMME2
SCHEMBL14115766 0.79 POLB (0.58) SMN1; SMN2ALDH1A1POLBPKMME2
SCHEMBL25225367 0.78 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1POLBPKMME2
SCHEMBL13701287 0.78 L3MBTL1 (0.75) SMN1; SMN2ALDH1A1POLBPKMME2
SCHEMBL5386665 0.77 NPC1 (0.61) SMN1; SMN2ALDH1A1POLBCACNA1BMEN1

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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