SCHEMBL6995950

SCHEMBL6995950

COc1cccc(C(C)(O)C2CCN(CC(N)=O)CC2)c1OC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.42
HTR2A P28223 1/20 0.41
GRM2 Q14416 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
JAK2 O60674 1/20 0.37
PTK2 Q05397 1/20 0.37
HSD11B1 P28845 1/20 0.37

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
SCHEMBL6995954 0.73 L3MBTL1 (0.46) SLC6A12HTR2AGRM2ALDH1A1LMNA
SCHEMBL8112492 0.72 HTR2B (0.48) SLC6A12HTR2AGRM2DRD3MEN1
SCHEMBL8112494 0.72 SIGMAR1 (0.49) SLC6A12HTR2AGRM2DRD3ALDH1A1
SCHEMBL4185437 0.71 DRD2 (0.63) GRM2MEN1KMT2A
SCHEMBL27537051 0.70 SMN1; SMN2 (0.45) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL27597066 0.69 CYP2C9 (0.50) MEN1KMT2A
SCHEMBL27615754 0.69 NPSR1 (0.67) ALDH1A1LMNAKDM4ESMN1; SMN2MEN1
SCHEMBL18493200 0.68 NFE2L2 (0.44) ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL11960577 0.67 KDM4E (0.47) ALDH1A1KDM4ESMN1; SMN2HSD11B1
SCHEMBL17537239 0.67 KDM4E (0.47) ALDH1A1LMNAKDM4EMEN1KMT2A

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-1015446-B1 (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS AVENTIS PHARMA INC (US) 2003-04-02 EP disclosed
US-6004982-A SIDE EFFECT REDUCTION; SCHIZOPHRENIA HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed