SCHEMBL8670586

SCHEMBL8670586

CC(=O)OC(=O)C(Oc1ccccc1)N1CCN(C2CCNCC2)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
SSTR1 P30872 1/20 0.31
SSTR4 P31391 1/20 0.31
KDM4E B2RXH2 3/20 0.31
SLC18A3 Q16572 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL8668017 0.87 SLC6A2 (0.33) SSTR1SSTR4SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL8670960 0.86 SLC6A2 (0.33) SSTR1SSTR4SLC6A2SLC6A4SLC6A3
SCHEMBL8666646 0.85 PARP1 (0.33) SSTR1SSTR4MEN1KMT2ASLC6A2
Hydrochloric Acid SCHEMBL8670945 0.84 PARP1 (0.33) SSTR1SSTR4MEN1KMT2ASLC6A2
Hydrochloric Acid SCHEMBL8480750 0.83 KMT2A (0.36) CHRM2CHRM1CHRM3SSTR1SSTR4
SCHEMBL8669847 0.83 TP53 (0.38) SSTR1SSTR4MEN1KMT2A
Hydrochloric Acid SCHEMBL8670989 0.82 TP53 (0.38) SSTR1SSTR4MEN1KMT2A
SCHEMBL8696260 0.76 CYP2C9 (0.38) KDM4EALDH1A1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8631358 0.75 CYP2C9 (0.38) KDM4EALDH1A1CYP2C9CYP2C19
SCHEMBL8668496 0.74 CYP2D6 (0.38) CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5814636-A TREATMENT AND PROPHYLAXIS OF THROMBOTIC DISEASES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-09-29 US disclosed