SCHEMBL6975606

SCHEMBL6975606

O=C(C(=CN1CCCC1)CCN1CCC(=Cc2ccccc2F)CC1)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.38
DRD3 P35462 2/20 0.38
DRD2 P14416 2/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
SRD5A2 P31213 1/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL6975602 1.00 HTR1A (0.38) HTR1ADRD3DRD2HTR2AHTR7
Hydrochloric Acid SCHEMBL6984682 0.79 DRD2 (0.58) HTR1ADRD3DRD2HTR2AHTR7
SCHEMBL16986213 0.71 ALDH1A1 (0.52) HTR1ADRD3KMT2AALDH1A1HPGD
SCHEMBL16986211 0.71 ALDH1A1 (0.52) HTR1ADRD3KMT2AALDH1A1HPGD
SCHEMBL7475487 0.68 RAB9A (0.49) SRD5A2
SCHEMBL16986186 0.68 ALDH1A1 (0.48) HTR1ADRD3DRD2SIGMAR1KMT2A
SCHEMBL16986185 0.68 ALDH1A1 (0.48) HTR1ADRD3DRD2SIGMAR1KMT2A
Oxalic Acid SCHEMBL6969996 0.67 KMT2A (0.46) HTR2AKMT2AALDH1A1HPGDMAPT
SCHEMBL6970002 0.67 HTR2A (0.34) HTR1ADRD2HTR2AHTR7SIGMAR1
SCHEMBL6890792 0.67 DRD2 (0.41) DRD2

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-1065205-B1 HETEROAROMATIC DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2003-05-28 EP disclosed
EP-1207159-A1 Aromaheterocyclic derivatives as dopamine D4 receptor antagonists TAISHO PHARMACEUTICAL CO. LTD (JP) 2002-05-22 EP disclosed
US-6291467-B1 DOPAMINE D4 RECEPTOR ANTAGONIST COMPOUND HAVING AN ANTIPSYCHOTIC ACTION WITHOUT CAUSING EXTRAPYRAMIDAL DISEASES. TAISHO PHARMACEUTICAL CO., LTD. (JP) 2001-09-18 US disclosed
EP-1065205-A1 HETEROAROMATIC DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2001-01-03 EP disclosed