SCHEMBL8007699

SCHEMBL8007699

Cc1cc(N)ccc1C(=O)NCCCCNC(=O)c1ccc(C(=O)NCCCCNC(=O)c2ccc(N)cc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ HDAC3 O15379 3/20 0.49
▸ HDAC1 Q13547 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ SLC22A2 O15244 1/20 0.49
▸ SLC22A1 O15245 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ PMP22 Q01453 1/20 0.48
▸ HDAC4 P56524 2/20 0.47
▸ HDAC7 Q8WUI4 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47

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
SCHEMBL8021703 0.94 L3MBTL1 (0.47) L3MBTL1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL27452028 0.88 HTT (0.57) L3MBTL1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL10126727 0.84 POLB (0.53) L3MBTL1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL12172265 0.84 HTT (0.62) L3MBTL1NPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL14280004 0.82 ALOX15 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL11230329 0.82 KDM4E (0.63) L3MBTL1NPC1RAB9AHDAC3HDAC1
SCHEMBL3106472 0.81 CRBN (0.46) NPC1RAB9ASMN1; SMN2HDAC3HDAC1
SCHEMBL31203044 0.81 SMN1; SMN2 (0.74) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL9419699 0.80 MAPK1 (0.65) L3MBTL1NPC1RAB9AHDAC3HDAC1
SCHEMBL14097385 0.80 MAPK1 (0.65) L3MBTL1NPC1RAB9AHDAC3HDAC1

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-0763016-B1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL MEDIATED CONDITIONS AXYS PHARM INC (US) 2000-01-26 — — EP claimed
US-5656660-A AMINE OR GUANIDINE GROUP-CONTAINING TRYPTASE INHIBITOR ARRIS PHARMACEUTICAL CORPORATION (US) 1997-08-12 — — US claimed
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