SCHEMBL9174403

SCHEMBL9174403

COC(=O)CC1CCN(C(=O)C2CCN(c3ccc(C(=N)NC(=O)OCc4ccccc4)cc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.42
PKM P14618 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MASP2 O00187 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39
CHRM4 P08173 2/20 0.39
RORC P51449 1/20 0.39
KMT2A Q03164 1/20 0.39
YAP1 P46937 1/20 0.39
CYP2C19 P33261 1/20 0.38

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
SCHEMBL9176347 0.92 MAPT (0.43) LMNAMAPTPKMALOX12SMN1; SMN2
SCHEMBL9176287 0.90 LMNA (0.39) HTTLMNAMAPTPKMALOX12
SCHEMBL9174730 0.89 ALDH1A1 (0.43) HTTLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL9173038 0.88 TP53 (0.39) HTTLMNAMAPTPKMALOX12
SCHEMBL9173102 0.86 MAPT (0.40) HTTLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL9174714 0.83 LMNA (0.42) HTTLMNAMAPTPKMALOX12
SCHEMBL8407202 0.83 YAP1 (0.49) HTTLMNAMAPTSMN1; SMN2NPC1
SCHEMBL9173930 0.82 ALDH1A1 (0.39) HTTLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL9176283 0.82 SMN1; SMN2 (0.40) HTTLMNAMAPTPKMALOX12
SCHEMBL662822 0.80 LMNA (0.48) HTTLMNAMAPTRAB9AALDH1A1

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
US-5442064-A Anticoagulants, antiagglomerants DR. KARL THOMAE GMBH (DE) 1995-08-15 US disclosed
EP-0592949-A2 N-(aminocarbonyl)-piperidines/pepirazines as aggregation inhibiting agents Dr. Karl Thomae GmbH (DE) 1994-04-20 EP disclosed