SCHEMBL10696867

SCHEMBL10696867

BrC[C@@H]1C[C@H]1c1ccc2ccccc2c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.68
HTR2B P41595 2/20 0.68
SLC6A4 P31645 13/20 0.65
SLC6A2 P23975 9/20 0.64
SLC6A3 Q01959 9/20 0.64
KDM1A O60341 2/20 0.43
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
HTR2A P28223 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2A6 P11509 1/20 0.41
CYP2D6 P10635 2/20 0.40
KCNH2 Q12809 2/20 0.40
CYP3A4 P08684 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
SCHEMBL10696871 1.00 HTR2C (0.68) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL13742286 0.82 HTR2C (0.97) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL10694369 0.82 HTR2C (0.68) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL10698042 0.82 HTR2C (0.68) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL4134455 0.81 HTR2C (1.00) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL4134458 0.81 HTR2C (1.00) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL13751924 0.79 SLC6A4 (0.74) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL14568542 0.78 SLC6A4 (1.00) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL3614757 0.77 HTR2C (0.63) HTR2CHTR2BSLC6A2SLC6A3KDM1A
SCHEMBL16388354 0.77 HTR2C (0.63) HTR2CHTR2BSLC6A2SLC6A3KDM1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0253498-A2 Tertiary amine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-20 EP disclosed