SCHEMBL9216580

SCHEMBL9216580

Fc1ccc2[nH]cc(C3=CCC(N4CCN(c5cccc(Cl)n5)CC4)CC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.48
HTR1A P08908 6/20 0.43
DRD2 P14416 4/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
DRD3 P35462 1/20 0.40
HTR2B P41595 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL10386050 0.88 SLC6A4 (0.46) SLC6A4HTR1ADRD2HTR2AHTR2C
SCHEMBL9206729 0.87 SLC6A4 (0.52) SLC6A4HTR1ADRD2HTR2AHTR2C
SCHEMBL9209421 0.86 HTR1D (0.54) HTR1A
SCHEMBL6635167 0.79 HTR1A (0.65) SLC6A4HTR1AHTR7
SCHEMBL7346681 0.78 SLC6A4 (0.52) SLC6A4HTR1ADRD2DRD4HTR2A
SCHEMBL7342683 0.75 SLC6A4 (0.52) SLC6A4HTR1ADRD2DRD4HTR2A
SCHEMBL9209449 0.70 MPO (0.62) SLC6A4HTR1AHTR7HTR6
SCHEMBL7338414 0.70 OPRM1 (0.66) SLC6A4HTR1ADRD2HTR2AHTR7
SCHEMBL9213108 0.69 HTR1A (0.69) SLC6A4HTR1ADRD2HTR7
SCHEMBL6637427 0.68 HTR1A (0.68) SLC6A4HTR1AHTR6

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-0345808-B1 1-Indolylalkyl-4-(substituted-pyridinyl)piperazines BRISTOL MYERS SQUIBB CO (US) 1995-01-11 EP claimed
US-4954502-A Antidepressants BRISTOL-MYERS SQUIBB COMPANY (US) 1990-09-04 US claimed
EP-0345808-A1 1-Indolylalkyl-4-(substituted-pyridinyl)piperazines Bristol-Myers Squibb Company (US) 1989-12-13 EP claimed