SCHEMBL29609239

SCHEMBL29609239

c1ccc2c(c1)NCC21CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
KDM1A O60341 1/20 0.41
AVPR1A P37288 1/20 0.40
PDE7A Q13946 1/20 0.37
KCNH2 Q12809 1/20 0.37
HDAC1 Q13547 1/20 0.37
BACE1 P56817 1/20 0.36
HTR2A P28223 4/20 0.34
HTR2C P28335 2/20 0.34
NOTUM Q6P988 1/20 0.34
HTR2B P41595 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
CCR5 P51681 1/20 0.32

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
SCHEMBL2260175 1.00 TNKS (0.45) TNKSTNKS2OPRM1OPRL1KDM1A
Hydrochloric Acid SCHEMBL16600202 0.98 TNKS (0.44) TNKSTNKS2OPRM1OPRL1KDM1A
SCHEMBL1828877 0.96 TNKS (0.45) TNKSTNKS2OPRM1OPRL1KDM1A
SCHEMBL29384445 0.96 TNKS (0.45) TNKSTNKS2OPRM1OPRL1KDM1A
SCHEMBL1795624 0.94 TNKS (0.44) TNKSTNKS2OPRM1OPRL1KDM1A
SCHEMBL21537943 0.94 TNKS (0.44) TNKSTNKS2OPRM1OPRL1KDM1A
SCHEMBL20469127 0.94 TNKS (0.44) TNKSTNKS2OPRM1OPRL1KDM1A
SCHEMBL29386699 0.94 TNKS (0.44) TNKSTNKS2OPRM1OPRL1KDM1A
SCHEMBL1012828 0.91 TNKS (0.44) TNKSTNKS2OPRM1OPRL1KDM1A
SCHEMBL29479467 0.91 TNKS (0.44) TNKSTNKS2OPRM1OPRL1KDM1A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116546990-B CD73 inhibitor and pharmaceutical application thereof RISEN (SUZHOU) PHARMA TECH Co.,Ltd. (CN) 2026-05-26 CN disclosed
WO-2024201248-A1 COMPOUNDS AND METHODS FOR DEGRADING GSPT1 PIN THERAPEUTICS, INC. (KR) 2024-10-03 WO disclosed
CN-114539340-B CD73 inhibitor and pharmaceutical application thereof 润佳(苏州)医药科技有限公司 2024-06-07 CN disclosed
EP-4251633-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-10-04 EP disclosed
CN-116546990-A CD73 inhibitor and pharmaceutical application thereof 润佳(苏州)医药科技有限公司 2023-08-04 CN disclosed
WO-2022109741-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2022-06-02 WO disclosed
CN-114539340-A CD73 inhibitor and pharmaceutical application thereof 润佳(苏州)医药科技有限公司 2022-05-27 CN disclosed