SCHEMBL7362773

SCHEMBL7362773

CC(C)(C)OC(=O)N1CCC(CCN2CCN(C3CCN(Cc4ccccc4)CC3)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.59
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 5/20 0.51
ACHE P22303 1/20 0.51
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
GPR119 Q8TDV5 1/20 0.48
RECQL P46063 1/20 0.48
TP53 P04637 2/20 0.48
THRB P10828 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 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
SCHEMBL8474293 0.93 KDM4E (0.56) CHRM4KDM4EACHEPKMGPR119
SCHEMBL3779080 0.92 CHRM4 (0.56) CHRM4KDM4EALDH1A1ACHEPKM
Hydrochloric Acid SCHEMBL3966170 0.91 CHRM4 (0.55) CHRM4KDM4EALDH1A1ACHESMN1; SMN2
SCHEMBL3570582 0.90 ACHE (0.61) CHRM4KDM4EALDH1A1ACHESMN1; SMN2
SCHEMBL642727 0.85 JAK2 (0.54) CHRM4KDM4EALDH1A1ACHESMN1; SMN2
SCHEMBL642728 0.85 JAK2 (0.54) CHRM4KDM4EALDH1A1ACHESMN1; SMN2
SCHEMBL9058559 0.85 KMT2A (0.58) CHRM4KDM4EALDH1A1ACHESMN1; SMN2
SCHEMBL13443092 0.83 ACHE (0.54) KDM4EALDH1A1ACHESMN1; SMN2GPR119
SCHEMBL27648293 0.83 MAPT (0.56) KDM4EALDH1A1ACHEGPR119MAPT
SCHEMBL23270010 0.82 TP53 (0.53) CHRM4KDM4EACHEPKMGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994356-A ANTICOAGULANT KARL THOMAE (DE) 1999-11-30 US disclosed
EP-0892783-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION Dr. Karl Thomae GmbH (DE) 1999-01-27 EP disclosed
WO-1997037975-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION DR. KARL THOMAE GMBH (DE) 1997-10-16 WO disclosed