SCHEMBL6994737

SCHEMBL6994737

CCc1ccccc1N1CCC([C@@H]2Cc3c(ccc(OC(C)=O)c3OC(C)=O)[C@H](CN)O2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
HTR2C P28335 2/20 0.41
SLC6A3 Q01959 2/20 0.41
DRD1 P21728 8/20 0.40
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TRPV1 Q8NER1 1/20 0.34
DRD2 P14416 2/20 0.34
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL7000445 0.86 ADRA2A (0.41) ADRA2AADRA2BADRA2CHTR2CSLC6A3
SCHEMBL6992417 0.83 SIGMAR1 (0.40) ADRA2AADRA2BADRA2CHTR2CSLC6A3
SCHEMBL6992412 0.83 SIGMAR1 (0.40) ADRA2AADRA2BADRA2CHTR2CSLC6A3
SCHEMBL6992418 0.83 SIGMAR1 (0.40) ADRA2AADRA2BADRA2CHTR2CSLC6A3
Bromide SCHEMBL6997924 0.83 ADRA2A (0.40) ADRA2AADRA2BADRA2CHTR2CSLC6A3
Bromide SCHEMBL6997929 0.83 ADRA2A (0.40) ADRA2AADRA2BADRA2CHTR2CSLC6A3
Bromide SCHEMBL6997926 0.83 ADRA2A (0.40) ADRA2AADRA2BADRA2CHTR2CSLC6A3
SCHEMBL6996509 0.81 DRD1 (0.63) ADRA2AADRA2BADRA2CHTR2CSLC6A3
Bromide SCHEMBL6995277 0.81 DRD1 (0.62) ADRA2AADRA2BADRA2CHTR2CSLC6A3
SCHEMBL6998213 0.70 ADRA2A (0.45) 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 3 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 claimed
US-6004982-A SIDE EFFECT REDUCTION; SCHIZOPHRENIA HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US claimed
EP-1015446-B1 (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS AVENTIS PHARMA INC (US) 2003-04-02 EP disclosed