SCHEMBL7899159

SCHEMBL7899159

COc1ccc2c(n1)CC(C1CCCN1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ DRD1 P21728 1/20 0.40
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ SLC22A1 O15245 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ ADRA1A P35348 2/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ MBTD1 Q05BQ5 1/20 0.33

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
SCHEMBL7900993 0.79 MBTD1 (0.35) HTR2AHTR2CHTR2BMBTD1L3MBTL3
SCHEMBL7898064 0.71 CHRNB2 (0.37) DRD2DRD3CYP2D6MBTD1L3MBTL3
SCHEMBL26725468 0.69 MBTD1 (0.42) GRIN1GRIN2AHTR1AMBTD1L3MBTL3
SCHEMBL20833280 0.69 MBTD1 (0.42) GRIN1GRIN2AHTR1AMBTD1L3MBTL3
SCHEMBL12891741 0.66 DRD2 (0.58) DRD2DRD3DRD1HTR2AHTR2C
SCHEMBL12891740 0.66 DRD2 (0.58) DRD2DRD3DRD1HTR2AHTR2C
SCHEMBL28871332 0.66 DRD2 (0.51) DRD2DRD3DRD1HTR2AHTR2C
SCHEMBL31621592 0.65 DRD2 (0.39) DRD2DRD3DRD1HTR2AHTR2C
SCHEMBL12993416 0.65 DRD2 (0.57) DRD2DRD3HTR2AHTR2CHTR2B
SCHEMBL7362916 0.64 SLC22A1 (0.52) DRD2DRD3SLC22A1CYP3A4CYP2D6

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
US-6184229-B1 6-pyrrolidin-2-ylpyrindine derivatives, their preparation and application in therapy SANOFI-SYNTHELABO (FR) 2001-02-06 — — US disclosed
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