SCHEMBL28063002

SCHEMBL28063002

Clc1ccc(Sc2ccccc2CC2CNCCN2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 8/20 0.47
▸ HTR3A P46098 8/20 0.47
▸ CYP1A2 P05177 4/20 0.47
▸ CYP3A4 P08684 4/20 0.47
▸ CYP2D6 P10635 4/20 0.47
▸ CYP2C9 P11712 4/20 0.47
▸ SLC6A4 P31645 3/20 0.47
▸ RHEB Q15382 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.35
▸ LTA4H P09960 1/20 0.34
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SLC6A9 P48067 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL1600790 0.73 HRH3 (0.49) HTR3ACYP3A4CYP2D6CYP2C9SLC6A4
SCHEMBL1600792 0.73 HRH3 (0.49) HTR3ACYP3A4CYP2D6CYP2C9SLC6A4
SCHEMBL4282739 0.71 SLC6A4 (0.42) HTR1ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2246688 0.70 PLG (0.45) HTR1ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7501787 0.70 LTA4H (0.41) HTR1ACYP2D6SLC6A4LTA4HSLC6A2
SCHEMBL27600947 0.70 LTA4H (0.41) CYP2D6SLC6A4ALDH1A1LTA4HSLC6A2
SCHEMBL3824584 0.70 NOS3 (0.35) HTR1ASLC6A4LTA4HSLC6A2SLC6A3
SCHEMBL11705626 0.69 SLC6A4 (0.65) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL1191610 0.68 SLC6A4 (0.63) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL13241649 0.68 SLC6A4 (0.68) HTR1AHTR3ACYP1A2CYP3A4CYP2D6

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
CN-110022869-A For skin and/or the serotonin 1B receptor stimulators of hair reparation 巴斯德研究院 2019-07-16 — — CN disclosed
CN-108348486-A 5-hydroxytryptamine 1B receptor agonists as promoters for satellite cell self-renewal and/or differentiation 巴斯德研究院 2018-07-31 — — CN disclosed
CN-106083762-A Fertile a kind of preparation method for western spit of fland intermediate 北京万全德众医药生物技术有限公司 2016-11-09 — — CN disclosed
CN-105622546-A Preparation method for vortioxetine MAGUS PHARMACEUTICAL (XIAMEN) CO LTD 2016-06-01 — — CN disclosed
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