SCHEMBL31037334

SCHEMBL31037334

CC(C(=O)NC1CCCCC1)c1ccc(N)cc1C#Cc1ccc(C(=O)NCCN2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BMPR1B O00238 1/20 0.46
▸ BMPR1A P36894 1/20 0.46
▸ TGFBR1 P36897 1/20 0.46
▸ ACVRL1 P37023 1/20 0.46
▸ ACVR1 Q04771 1/20 0.46
▸ HRH3 Q9Y5N1 4/20 0.45
▸ GLA P06280 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KCNH2 Q12809 2/20 0.42
▸ MCHR1 Q99705 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ACACB O00763 2/20 0.41
▸ SLC5A7 Q9GZV3 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ CNR2 P34972 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
SCHEMBL31037354 0.88 ALDH1A1 (0.42) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL31037338 0.83 HRH3 (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL31037495 0.80 NAMPT (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL22837224 0.76 CD274 (0.62) HRH3GLAL3MBTL1NPSR1CYP1A2
SCHEMBL31037261 0.74 MAP4K4 (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL31037355 0.74 NAMPT (0.48) GLAL3MBTL1NPSR1CYP1A2CYP2D6
SCHEMBL31037316 0.73 ATR (0.52) NPSR1CYP1A2CYP2D6CYP2C9POLB
SCHEMBL18874231 0.72 CD274 (0.59) HRH3GLAL3MBTL1NPSR1CYP1A2
SCHEMBL3401326 0.71 CYP1A2 (0.74) HRH3GLAL3MBTL1NPSR1CYP1A2
SCHEMBL3642214 0.70 CYP1A2 (0.65) GLAL3MBTL1NPSR1CYP1A2CYP2D6

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-4663628-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Samjin Pharmaceutical Co., Ltd. (KR) 2025-12-17 — — EP disclosed
WO-2024166024-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-08-15 — — WO disclosed
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