SCHEMBL30979862

SCHEMBL30979862

OC1CCCCc2cccnc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.44
OPRL1 P41146 9/20 0.43
KCNH2 Q12809 9/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CXCR4 P61073 3/20 0.38
CYP2D6 P10635 2/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL10286331 1.00 P2RX7 (0.44) P2RX7OPRL1KCNH2HDAC1HDAC6
SCHEMBL10286334 1.00 P2RX7 (0.44) P2RX7OPRL1KCNH2HDAC1HDAC6
SCHEMBL2171553 1.00 P2RX7 (0.44) P2RX7OPRL1KCNH2HDAC1HDAC6
Hydrochloric Acid SCHEMBL9741792 0.98 P2RX7 (0.44) P2RX7OPRL1KCNH2HDAC1HDAC6
SCHEMBL10286357 0.95 P2RX7 (0.45) P2RX7OPRL1KCNH2HDAC1HDAC6
SCHEMBL1514902 0.95 P2RX7 (0.45) P2RX7OPRL1KCNH2HDAC1HDAC6
SCHEMBL29472109 0.95 P2RX7 (0.45) P2RX7OPRL1KCNH2HDAC1HDAC6
SCHEMBL5021376 0.95 P2RX7 (0.45) P2RX7OPRL1KCNH2HDAC1HDAC6
SCHEMBL3314142 0.87 OPRL1 (0.49) P2RX7OPRL1KCNH2HDAC1HDAC6
SCHEMBL17549915 0.87 OPRL1 (0.49) P2RX7OPRL1KCNH2HDAC1HDAC6

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
CN-122079890-A Ruimei gem Process for the preparation of intermediates 2026-05-26 CN disclosed
CN-118272333-A Biosynthesis method of zimetapam intermediate 浙江宏元药业股份有限公司 2024-07-02 CN disclosed