SCHEMBL25001065

SCHEMBL25001065

COC[C@H](C)Oc1nc(OC)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.43
DHFR P00374 2/20 0.41
DCPS Q96C86 2/20 0.41
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32
KDR P35968 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
PDE10A Q9Y233 2/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
NNMT P40261 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 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
SCHEMBL25010693 0.83 MCHR1 (0.43) MCHR1DHFRDCPSCDK1CDK2
SCHEMBL25001112 0.83 CYP1A2 (0.38) MCHR1DHFRDCPSPOLBTDP1
SCHEMBL30271340 0.83 MCHR1 (0.43) MCHR1DHFRDCPSCDK1CDK2
SCHEMBL25010689 0.83 MCHR1 (0.43) MCHR1DHFRDCPSCDK1CDK2
SCHEMBL25000973 0.82 PDE10A (0.40) MCHR1POLBTDP1CDK1CDK2
SCHEMBL25001416 0.81 MCHR1 (0.37) MCHR1DHFRDCPSPOLBTDP1
SCHEMBL25001074 0.77 POLB (0.39) POLBTDP1HDAC3HDAC1SIRT2
SCHEMBL30168387 0.77 POLB (0.39) POLBTDP1HDAC3HDAC1SIRT2
SCHEMBL656848 0.75 POLB (0.50) POLBTDP1HDAC3HDAC1PDE10A
SCHEMBL30054640 0.75 POLB (0.50) POLBTDP1HDAC3HDAC1PDE10A

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
WO-2023014908-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed
WO-2023014907-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed