SCHEMBL31387359

SCHEMBL31387359

CC1CC2(CCN1C(=O)OC(C)(C)C)OCCc1ccsc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.41
RORC P51449 1/20 0.38
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
SETD7 Q8WTS6 1/20 0.34
AVPR1A P37288 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
KDM1A O60341 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL26059137 1.00 OPRL1 (0.41) OPRL1RORCJAK2JAK1SETD7
SCHEMBL30623219 1.00 OPRL1 (0.41) OPRL1RORCJAK2JAK1SETD7
SCHEMBL26062015 1.00 OPRL1 (0.41) OPRL1RORCJAK2JAK1SETD7
SCHEMBL26057820 0.87 SIGMAR1 (0.41) JAK2JAK1SETD7KDM1A
SCHEMBL30623264 0.87 SIGMAR1 (0.41) JAK2JAK1SETD7KDM1A
SCHEMBL31387475 0.87 SIGMAR1 (0.41) JAK2JAK1SETD7KDM1A
SCHEMBL25433548 0.85 OPRL1 (0.44) OPRL1RORC
SCHEMBL24346285 0.85 OPRL1 (0.38) OPRL1RORCGPR119KDM1ATAAR1
SCHEMBL29413685 0.85 OPRL1 (0.38) OPRL1RORCGPR119KDM1ATAAR1
SCHEMBL25359159 0.85 OPRL1 (0.47) OPRL1RORCTAAR1

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
CN-119343353-A 2-Methyl-4 ',5' -dihydrospiro [ piperidine-4, 7' -thieno [2,3-c ] pyran ] derivatives as APOL1 inhibitors and methods of use thereof 弗特克斯药品有限公司 2025-01-21 CN disclosed