SCHEMBL30457448

SCHEMBL30457448

Cc1nc(N[C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)ccc1Br

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 6/20 0.70
▸ KCNH2 Q12809 3/20 0.65
▸ ALDH1A1 P00352 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MLNR O43193 4/20 0.47
▸ CYP3A4 P08684 4/20 0.47
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HTT P42858 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ OPRM1 P35372 1/20 0.39

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
SCHEMBL25272696 1.00 MC4R (0.70) MC4RKCNH2ALDH1A1SMN1; SMN2MLNR
SCHEMBL30457507 0.88 MC4R (0.68) MC4RKCNH2ALDH1A1SMN1; SMN2MLNR
SCHEMBL31666902 0.82 MC4R (0.72) MC4RKCNH2ALDH1A1SMN1; SMN2MLNR
SCHEMBL25228967 0.82 MC4R (0.60) MC4RKCNH2ALDH1A1SMN1; SMN2MLNR
SCHEMBL25225248 0.81 MC4R (0.46) MC4RKCNH2ALDH1A1SMN1; SMN2LMNA
SCHEMBL31666906 0.79 MC4R (0.72) MC4RKCNH2ALDH1A1SMN1; SMN2MLNR
SCHEMBL25225367 0.76 ALDH1A1 (0.57) MC4RKCNH2ALDH1A1SMN1; SMN2MLNR
SCHEMBL31666899 0.76 MC4R (0.65) MC4RKCNH2ALDH1A1SMN1; SMN2MLNR
SCHEMBL31421677 0.75 USP30 (0.48) ALDH1A1MAPTHTTNPC1RAB9A
SCHEMBL30948976 0.75 USP30 (0.48) ALDH1A1MAPTHTTNPC1RAB9A

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
EP-4444708-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF Pfizer Inc. (US) 2024-10-16 — — EP disclosed
WO-2023105387-A1 MELANOCORTIN 4 RECEPTOR ANTAGONISTS AND USES THEREOF PFIZER INC. (US) 2023-06-15 — — WO disclosed
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