SCHEMBL31641998

SCHEMBL31641998

CN1CCC(Oc2cc(Cl)ccc2Br)C1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.61
HTR2B P41595 4/20 0.61
SLC6A4 P31645 1/20 0.57
HTR6 P50406 1/20 0.57
UTS2R Q9UKP6 9/20 0.49
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46

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
SCHEMBL31641521 0.93 HTR2C (0.54) HTR2CHTR2BSLC6A4HTR6UTS2R
SCHEMBL6821193 0.82 UTS2R (0.44) HTR2CHTR2BUTS2RNOS3NOS1
SCHEMBL6821190 0.82 UTS2R (0.44) HTR2CHTR2BUTS2RNOS3NOS1
SCHEMBL1927488 0.78 UTS2R (0.51) HTR2CHTR2BUTS2RNOS3NOS1
SCHEMBL14578205 0.78 HTR2C (0.60) HTR2CHTR2BSLC6A4HTR6UTS2R
SCHEMBL10370107 0.78 HTR2C (0.56) HTR2CHTR2BSLC6A4HTR6
SCHEMBL6819549 0.77 CYP19A1 (0.44) UTS2R
SCHEMBL2287001 0.76 HTR2C (1.00) HTR2CHTR2BSLC6A4HTR6
SCHEMBL2287007 0.76 HTR2C (1.00) HTR2CHTR2BSLC6A4HTR6
SCHEMBL2282006 0.75 HTR2C (1.00) HTR2CHTR2BSLC6A4HTR6

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
WO-2025137483-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2025-06-26 WO disclosed