SCHEMBL11069804

SCHEMBL11069804

O=C(CCCOc1ccc2[nH]c(=O)ccc2c1)N1CCC(c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 14/20 0.53
PDE3A Q14432 14/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
PDE5A O76074 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
PTAFR P25105 1/20 0.53
CYP2C19 P33261 1/20 0.53
BLM P54132 1/20 0.53
PDE1A P54750 1/20 0.53
PDE1B Q01064 1/20 0.53
PMP22 Q01453 1/20 0.53
KMT2A Q03164 1/20 0.53
PDE1C Q14123 1/20 0.53
HSD17B10 Q99714 1/20 0.53
P2RY12 Q9H244 4/20 0.51

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
SCHEMBL11062161 0.87 MEN1 (0.54) PDE3BPDE3AHPGDKDM4EMEN1
SCHEMBL11064312 0.84 PDE3B (0.67) PDE3BPDE3AHPGDKDM4EMEN1
SCHEMBL11067813 0.83 PDE3B (0.68) PDE3BPDE3AKDM4EALDH1A1SMN1; SMN2
SCHEMBL11061345 0.81 PDE3B (0.68) PDE3BPDE3AHPGDKDM4EMEN1
SCHEMBL11266873 0.79 KDM4E (0.53) PDE3BPDE3AHPGDKDM4EMEN1
SCHEMBL5630679 0.76 PDE3B (0.60) PDE3BPDE3AHPGDKDM4EMEN1
SCHEMBL11064423 0.76 MAOA (0.56) PDE3BPDE3A
SCHEMBL11274095 0.74 PDE3B (0.52) PDE3BPDE3AHPGDKDM4EMEN1
SCHEMBL11010103 0.74 PDE3B (0.52) PDE3BPDE3AHPGDKDM4EMEN1
SCHEMBL17874412 0.74 PDE3B (0.60) PDE3BPDE3AHPGDKDM4EMEN1

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-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 US disclosed