SCHEMBL30833322

SCHEMBL30833322

Cc1nc(NC2CCNC2)ccc1-c1ncccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.43
▸ HRH3 Q9Y5N1 4/20 0.43
▸ IRAK4 Q9NWZ3 2/20 0.42
▸ MAP4K1 Q92918 1/20 0.42
▸ BRD4 O60885 2/20 0.42
▸ ATAD2 Q6PL18 2/20 0.42
▸ HRH4 Q9H3N8 3/20 0.42
▸ HRH2 P25021 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ NRAS P01111 5/20 0.41
▸ FLT3 P36888 5/20 0.41
▸ MC4R P32245 1/20 0.41
▸ IRAK1 P51617 1/20 0.40
▸ CHEK2 O96017 1/20 0.40

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
SCHEMBL31687286 1.00 CYP1A2 (0.47) CYP1A2CYP2C19TDP1HRH3IRAK4
Hydrochloric Acid SCHEMBL30457682 0.99 CYP1A2 (0.46) CYP1A2CYP2C19TDP1HRH3IRAK4
SCHEMBL31687296 0.87 CYP1A2 (0.46) CYP1A2CYP2C19TDP1HRH3IRAK4
SCHEMBL31687285 0.86 FLT3 (0.45) CYP1A2CYP2C19HRH3IRAK4MAP4K1
SCHEMBL31687271 0.84 PRKCI (0.42) HRH3IRAK4MAP4K1HRH4HRH2
SCHEMBL31687300 0.84 CYP1A2 (0.43) CYP1A2CYP2C19TDP1HRH3MAP4K1
SCHEMBL31634664 0.84 CYP1A2 (0.43) CYP1A2CYP2C19TDP1HRH3MAP4K1
Hydrochloric Acid SCHEMBL30996519 0.79 MC4R (0.39) HRH3IRAK4HRH4HRH2NRAS
SCHEMBL31634694 0.78 MC4R (0.35) CYP1A2CYP2C19TDP1HRH3CYP3A4
SCHEMBL25435475 0.77 HDAC4 (0.53) HRH3HRH4NRASFLT3MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4620955-A1 MC4R ANTAGONIST COMPOUND, PHARMACEUTICAL COMPOSITION AND PHARMACEUTICAL USE THEREOF Changchun Genescience Pharmaceutical Co., Ltd. (CN) 2025-09-24 — — EP disclosed
CN-120202199-A MC4R antagonist compound, pharmaceutical composition and application thereof in medicine 长春金赛药业有限责任公司 2025-06-24 — — CN disclosed
WO-2024104452-A1 MC4R ANTAGONIST COMPOUND, PHARMACEUTICAL COMPOSITION AND PHARMACEUTICAL USE THEREOF 长春金赛药业有限责任公司 2024-05-23 — — WO disclosed
CN-117736206-A Urea derivatives as MC4R antagonists, pharmaceutical compositions and pharmaceutical applications thereof 长春金赛药业有限责任公司 2024-03-22 — — CN disclosed
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