SCHEMBL30623481

SCHEMBL30623481

CC1(C)OC2(CCNCC2)c2cc(Cl)ccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.42
HTR2A P28223 3/20 0.42
HTR2B P41595 2/20 0.39
DRD2 P14416 1/20 0.37
PGR P06401 1/20 0.34
PNMT P11086 1/20 0.33
SRD5A1 P18405 1/20 0.33
ACAT2 Q9BWD1 1/20 0.33
MAP3K14 Q99558 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CNR1 P21554 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 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
SCHEMBL25356678 1.00 HTR2C (0.42) HTR2CHTR2AHTR2BDRD2PGR
SCHEMBL25358499 0.83 OPRM1 (0.36) KCNH2
SCHEMBL738649 0.80 SIGMAR1 (0.46) HTR2CHTR2AHTR2BDRD2SLC6A2
SCHEMBL750605 0.76 HTR2C (0.39) HTR2CHTR2A
SCHEMBL4045773 0.71 HTR2C (0.44) HTR2CHTR2AHTR2BDRD2PNMT
SCHEMBL1275908 0.70 HTR2C (0.47) HTR2CHTR2AHTR2BDRD2PNMT
SCHEMBL25359962 0.69 HTR2C (0.46) HTR2CHTR2AHTR2BDRD2PNMT
SCHEMBL25628434 0.68 AVPR1A (0.47) HTR2APGR
SCHEMBL24685578 0.68 HTR2C (0.41) HTR2CHTR2AHTR2BDRD2PNMT
SCHEMBL654562 0.68 NPY5R (0.45) HTR2CHTR2AHTR2B

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
EP-4476207-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME Vertex Pharmaceuticals Incorporated (US) 2024-12-18 EP disclosed
WO-2023154314-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed