SCHEMBL31243799

SCHEMBL31243799

c1ccc(N2CCC3(CC2)OCCc2ccsc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.50
RORC P51449 1/20 0.50
SIGMAR1 Q99720 2/20 0.45
KCNH2 Q12809 1/20 0.44
USP2 O75604 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL11949323 0.81 RORC (0.55) OPRL1RORCSIGMAR1
SCHEMBL31252999 0.79 RORC (0.51) OPRL1RORCSIGMAR1
SCHEMBL1807709 0.78 OPRL1 (0.53) OPRL1RORCSIGMAR1
SCHEMBL31387362 0.76 RORC (0.51) OPRL1RORCSIGMAR1
SCHEMBL1805405 0.74 RORC (0.48) OPRL1RORCSIGMAR1
SCHEMBL31593978 0.71 RORC (0.47) OPRL1RORCSIGMAR1
SCHEMBL30484456 0.70 RORC (0.52) OPRL1RORCSIGMAR1
SCHEMBL18579655 0.69 OPRL1 (0.45) OPRL1RORCSIGMAR1
SCHEMBL25359159 0.69 OPRL1 (0.47) OPRL1RORCSIGMAR1
SCHEMBL1808227 0.69 OPRL1 (0.45) OPRL1RORCKCNH2

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-119013281-A 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 2024-11-22 CN disclosed