SCHEMBL8130396

SCHEMBL8130396

CN1CCN(c2cc3c(cc2Cl)CCN3C(=O)Nc2ccc(-c3ccccc3)nc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 15/20 0.60
SLC2A1 P11166 2/20 0.59
HTR1A P08908 2/20 0.59
HTR1D P28221 2/20 0.59
HTR1B P28222 2/20 0.59
HTR2A P28223 12/20 0.53
HTR2B P41595 7/20 0.52
CYP1A2 P05177 1/20 0.52
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MTOR P42345 1/20 0.47

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
SCHEMBL8126725 0.89 SLC2A1 (0.68) HTR2CSLC2A1HTR1AHTR1DHTR1B
SCHEMBL8151359 0.83 SLC2A1 (0.62) HTR2CSLC2A1HTR1AHTR1DHTR1B
SCHEMBL8117432 0.82 SLC2A1 (0.66) HTR2CSLC2A1HTR1AHTR1DHTR1B
SCHEMBL8136220 0.82 SLC2A1 (0.63) HTR2CSLC2A1HTR1AHTR1DHTR1B
SCHEMBL8134911 0.82 SLC2A1 (0.63) HTR2CSLC2A1HTR1AHTR1DHTR1B
SCHEMBL8124544 0.82 HTR2C (0.74) HTR2CSLC2A1HTR1AHTR1DHTR1B
SCHEMBL8128490 0.82 SLC2A1 (0.66) HTR2CSLC2A1HTR1AHTR1DHTR1B
SCHEMBL27542467 0.81 HTR1D (0.63) HTR2CSLC2A1HTR1AHTR1DHTR1B
SCHEMBL8118623 0.81 SLC2A1 (0.62) HTR2CSLC2A1HTR1AHTR1DHTR1B
SCHEMBL8132288 0.81 SLC2A1 (0.81) HTR2CSLC2A1HTR1AHTR1DHTR1B

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-0975593-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-02 EP claimed
WO-1998050358-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO claimed
EP-0975593-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-02 EP disclosed
WO-1998050358-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed