SCHEMBL7971099

SCHEMBL7971099

O=C(O)c1cccc2c1OCCN2C(Cc1ccc(Cl)cc1)c1cnc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.38
CPB2 Q96IY4 5/20 0.33
CPB1 P15086 1/20 0.32
TSHR P16473 1/20 0.32
NLN Q9BYT8 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
S1PR1 P21453 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
NOTUM Q6P988 1/20 0.31
CNR1 P21554 1/20 0.31
P2RX7 Q99572 2/20 0.31
BRS3 P32247 1/20 0.31
ENPP2 Q13822 1/20 0.31
FTO Q9C0B1 1/20 0.31
PTGIR P43119 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 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
SCHEMBL7968421 0.91 CPA1 (0.40) CPA1CPB2CPB1
SCHEMBL7971636 0.91 CPA1 (0.38) CPA1CPB2CPB1BRS3ADRA2A
SCHEMBL7971115 0.83 CPA1 (0.36) CPA1CPB2CPB1NLN
SCHEMBL7967524 0.83 CPA1 (0.37) CPA1CPB2CPB1TSHRNLN
SCHEMBL7974145 0.76 CPA1 (0.36) CPA1CPB2CPB1BRS3
SCHEMBL7971730 0.74 CPA1 (0.37) CPA1CPB2CPB1BRS3
SCHEMBL7971542 0.74 CPA1 (0.39) CPA1CPB2CPB1LMNAMAPT
SCHEMBL7971101 0.69 FNTA (0.48) TSHRPTGIR
SCHEMBL7958574 0.67 TSHR (0.39) TSHRDRD2DRD4LMNAMAPT
SCHEMBL7973949 0.67 FTO (0.42) CPA1CPB2CPB1NLNS1PR1

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
WO-2001009127-A1 BENZOXAZINE DERIVATIVES AND THEIR THERAPEUTIC USE AVENTIS PHARMA S.A. (FR) 2001-02-08 WO disclosed