SCHEMBL7902192

SCHEMBL7902192

CC(C)(C)[Si](C)(C)OCCc1c[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.50
HTR1A P08908 3/20 0.50
CYP3A4 P08684 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HTR2C P28335 2/20 0.50
HTR6 P50406 2/20 0.50
CYP2D6 P10635 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MPO P05164 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
HTR7 P34969 1/20 0.50
CTSK P43235 1/20 0.50
CYP2A13 Q16696 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
HTR2B P41595 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL5946187 0.92 SLC6A4 (0.52) HTR2AHTR1ACYP3A4ALDH1A1HTR2C
SCHEMBL297346 0.87 HTR2A (0.58) HTR2AHTR1AALDH1A1HTR6KDM4E
SCHEMBL1304693 0.85 HTR2A (0.56) HTR2AHTR1ACYP3A4ALDH1A1HTR2C
SCHEMBL8129433 0.81 HTR2A (0.55) HTR2AHTR1AHTR6MPOHTR7
SCHEMBL9093555 0.81 HTR2A (0.55) HTR2AHTR1AHTR2CHTR6HTR1D
SCHEMBL8140362 0.81 MPO (0.55) HTR2AHTR1AMPOSLC6A4KMT2A
SCHEMBL7286858 0.79 SLC6A4 (0.50) HTR2AHTR1ACYP3A4ALDH1A1HTR2C
SCHEMBL6038057 0.78 TRPM8 (0.54) HTR2AHTR1ACYP3A4HTR2CHTR6
SCHEMBL6037943 0.78 TRPM8 (0.54) HTR2AHTR1ACYP3A4HTR2CHTR6
SCHEMBL16007944 0.78 HTR2A (0.59) HTR2AHTR1AHTR2CHTR6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023019366-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS SEROTONERGIC AGENTS USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO MINDSET PHARMA INC. (CA) 2023-02-23 WO disclosed
WO-2022011211-A1 DEOXYNOJIRIMYCIN DERIVATIVES AS GLUCOSIDASE INHIBITORS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2022-01-13 WO disclosed
US-6197963-B1 TETRAHYDROPYRAN DERIVATIVES; PROTEIN G, SOMATOSTATIN, AND NATURAL KILLER CELL RECEPTOR ANTAGONISTS OR MIMETICS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2001-03-06 US disclosed
US-5811512-A BINDING TO G-PROTEIN-LINKED RECEPTORS, SUBSTANCE P RECEPTOR; HORMONE INHIBITORS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1998-09-22 US disclosed
US-5552534-A COMPOUNDS FOR CROSS REACTION WITH PEPTIDES FOR BINDING G PROTEIN THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1996-09-03 US disclosed