SCHEMBL29277458

SCHEMBL29277458

O=CN1CC(Oc2ccc(C(F)(F)F)cc2F)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.41
LIPG Q9Y5X9 3/20 0.39
SLC6A4 P31645 6/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
CHRNA7 P36544 1/20 0.36
PDE2A O00408 1/20 0.35
PDE4B Q07343 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR5 Q9H228 1/20 0.34
GPR6 P46095 2/20 0.34
HTR2A P28223 1/20 0.34
LIPC P11150 1/20 0.34

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
SCHEMBL29277453 0.80 GRIN2B (0.46) SLC6A4PDE4BGPR6
SCHEMBL21984952 0.78 TACR1 (0.44) TACR1SLC6A4HTR2CHTR2BPDE2A
SCHEMBL29277440 0.78 TEAD1 (0.46) LIPGLIPC
SCHEMBL29277460 0.78 PDE4B (0.47) TACR1PDE4BGPR6
SCHEMBL29277461 0.75 IDO1 (0.49) TACR1LIPGLIPC
SCHEMBL22283579 0.74 PDE2A (0.41) SLC6A4HTR2CHTR2BPDE2AHTR2A
SCHEMBL22283580 0.74 PDE2A (0.41) SLC6A4HTR2CHTR2BPDE2AHTR2A
SCHEMBL22283606 0.74 SLC6A4 (0.39) SLC6A4HTR2CHTR2BPDE2AHTR2A
SCHEMBL27149063 0.73 GRIN2B (0.45) LIPGCHRNA7S1PR1S1PR5LIPC
SCHEMBL31071547 0.72 HTR2C (0.49) SLC6A4HTR2CHTR2B

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-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 CN claimed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 CN disclosed