SCHEMBL6998211

SCHEMBL6998211

CCN1CCC([C@H]2Cc3c(ccc(OC)c3OC)[C@@H](CN)O2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.45
ADRA2B P18089 2/20 0.45
ADRA2C P18825 2/20 0.45
HTR2C P28335 2/20 0.45
SLC6A3 Q01959 2/20 0.45
DRD1 P21728 7/20 0.44
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 1/20 0.33
GAA P10253 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
SCHEMBL6998213 1.00 ADRA2A (0.45) ADRA2AADRA2BADRA2CHTR2CSLC6A3
SCHEMBL6998208 1.00 ADRA2A (0.45) ADRA2AADRA2BADRA2CHTR2CSLC6A3
SCHEMBL6995341 0.87 ACHE (0.48)
SCHEMBL6995343 0.87 ACHE (0.48)
SCHEMBL6995337 0.87 ACHE (0.48)
SCHEMBL6994578 0.85 ADRA2A (0.43) ADRA2AADRA2BADRA2CHTR2CSLC6A3
SCHEMBL6994580 0.85 ADRA2A (0.43) ADRA2AADRA2BADRA2CHTR2CSLC6A3
SCHEMBL6994586 0.85 ADRA2A (0.43) ADRA2AADRA2BADRA2CHTR2CSLC6A3
SCHEMBL6999335 0.85 HTR1A (0.43) ADRA2AADRA2BADRA2CHTR2CSLC6A3
SCHEMBL6999331 0.85 HTR1A (0.43) ADRA2AADRA2BADRA2CHTR2CSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015446-B1 (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS AVENTIS PHARMA INC (US) 2003-04-02 EP disclosed
EP-1015446-A1 (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS Aventis Pharmaceuticals Inc. (US) 2000-07-05 EP disclosed
US-6004982-A SIDE EFFECT REDUCTION; SCHIZOPHRENIA HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
WO-1998034933-A1 (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1998-08-13 WO disclosed