SCHEMBL28167634

SCHEMBL28167634

NCc1cccc(CN)c1N1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.46
▸ HTR2C P28335 5/20 0.46
▸ HTR2A P28223 4/20 0.46
▸ DRD2 P14416 2/20 0.46
▸ DRD3 P35462 2/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ ADRB1 P08588 6/20 0.44
▸ HTR3E A5X5Y0 4/20 0.44
▸ HTR3B O95264 4/20 0.44
▸ HTR3A P46098 4/20 0.44
▸ HTR3D Q70Z44 4/20 0.44
▸ HTR3C Q8WXA8 4/20 0.44
▸ SIGMAR1 Q99720 3/20 0.44
▸ SLC6A4 P31645 2/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ HTR7 P34969 4/20 0.41
▸ HTR6 P50406 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41

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
SCHEMBL27433116 0.88 SLC6A4 (0.41) HTR1AHTR2CHTR2ADRD2DRD3
SCHEMBL27321144 0.79 HTR1A (0.59) HTR1AHTR2CHTR2ADRD2DRD3
SCHEMBL27635353 0.79 HTR1A (0.74) HTR1AHTR2CHTR2ADRD2DRD3
SCHEMBL18756929 0.79 HTR1A (0.53) HTR1AHTR2CHTR2ADRD2DRD3
SCHEMBL17739021 0.79 HTR1A (0.53) HTR1AHTR2CHTR2ADRD2DRD3
Hydrochloric Acid SCHEMBL27857393 0.78 HTR1A (0.58) HTR1AHTR2CHTR2ADRD2DRD3
Hydrochloric Acid SCHEMBL27452391 0.78 HTR1A (0.58) HTR1AHTR2CHTR2ADRD2DRD3
Hydrochloric Acid SCHEMBL27635338 0.78 HTR1A (0.72) HTR1AHTR2CHTR2ADRD2DRD3
SCHEMBL325039 0.74 EPHX2 (0.55) HTR1AHTR2CHTR2AHTR3EHTR3B
SCHEMBL28869984 0.74 ADRB1 (0.48) HTR1AHTR2CHTR2ADRD2DRD3

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
CN-104159977-B Thermoplastic resin composition 日本乳化剂株式会社 2017-09-12 — — CN disclosed
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