SCHEMBL6995343

SCHEMBL6995343

COc1ccc2c(c1OC)CC(C1CCN(Cc3ccccc3)CC1)OC2CN

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.48
BACE1 P56817 5/20 0.46
BCHE P06276 5/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC6A12 P48065 1/20 0.44
SIGMAR1 Q99720 2/20 0.43

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
SCHEMBL6995341 1.00 ACHE (0.48) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL6995337 1.00 ACHE (0.48) ACHEBACE1BCHEMEN1KMT2A
Fumaric Acid SCHEMBL6994544 0.93 SLC6A12 (0.45) ACHEBACE1BCHEMEN1KMT2A
Fumaric Acid SCHEMBL6994539 0.93 SLC6A12 (0.45) ACHEBACE1BCHEMEN1KMT2A
Fumaric Acid SCHEMBL6994531 0.93 SLC6A12 (0.45) ACHEBACE1BCHEMEN1KMT2A
Fumaric Acid SCHEMBL6994532 0.93 SLC6A12 (0.45) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL6999335 0.91 HTR1A (0.43) SIGMAR1
SCHEMBL6999326 0.91 HTR1A (0.43) SIGMAR1
SCHEMBL6999331 0.91 HTR1A (0.43) SIGMAR1
SCHEMBL6998399 0.89 ABCB1 (0.46) SIGMAR1

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 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
US-6004982-A SIDE EFFECT REDUCTION; SCHIZOPHRENIA HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed