SCHEMBL8880452

SCHEMBL8880452

Cc1cccc2c(=O)c(OCCN3CCN(C)CC3)c(N3CCOCC3)oc12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 7/20 0.55
PRKDC P78527 9/20 0.54
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CCR4 P51679 1/20 0.43

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
SCHEMBL8883242 0.93 MEN1 (0.49) P2RY12PRKDCMEN1KMT2A
SCHEMBL8882570 0.92 MEN1 (0.50) P2RY12PRKDCMEN1KMT2AKDM4E
SCHEMBL8881588 0.87 ABCB1 (0.47) P2RY12PRKDCMEN1KMT2A
SCHEMBL8882846 0.87 PRKDC (0.51) P2RY12PRKDCMEN1KMT2A
SCHEMBL8880007 0.86 HTR7 (0.45) PRKDCMEN1KMT2A
SCHEMBL8883230 0.85 PRKDC (0.49) P2RY12PRKDCMEN1KMT2A
SCHEMBL8881710 0.85 MEN1 (0.45) P2RY12PRKDCMEN1KMT2A
SCHEMBL8881292 0.83 PRKDC (0.47) P2RY12PRKDCMEN1KMT2AKDM4E
SCHEMBL8884463 0.82 PRKDC (0.40) P2RY12PRKDCMEN1KMT2AALDH1A1
SCHEMBL7326772 0.81 P2RY12 (0.48) P2RY12PRKDCKDM4EALDH1A1

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-5703075-A Antiatherosclerotic and antithrombotic 1-benzopyran-4-ones and 2-amino-1,3-benzoxazine-4-ones PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US claimed
US-5703075-A Antiatherosclerotic and antithrombotic 1-benzopyran-4-ones and 2-amino-1,3-benzoxazine-4-ones PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US disclosed