SCHEMBL31292986

SCHEMBL31292986

NCCc1c[nH]c2c(I)cc(Cl)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.54
TRPM8 Q7Z2W7 3/20 0.54
MPO P05164 3/20 0.44
SLC6A4 P31645 1/20 0.44
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR1D P28221 4/20 0.40
HTR2C P28335 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
HTR1B P28222 2/20 0.40
HTR7 P34969 2/20 0.40
HTR6 P50406 2/20 0.40
TAAR1 Q96RJ0 2/20 0.40
CYP2A6 P11509 1/20 0.40
NFKB1 P19838 1/20 0.40
CTSK P43235 1/20 0.40
CYP2A13 Q16696 1/20 0.40

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
SCHEMBL25422319 1.00 HTR2A (0.54) HTR2ATRPM8MPOSLC6A4MAPT
SCHEMBL13779243 0.83 HTR2A (0.61) HTR2ATRPM8MPOSLC6A4MAPT
Hydrochloric Acid SCHEMBL21546049 0.81 MPO (0.55) HTR2ATRPM8MPOSLC6A4MAPT
SCHEMBL25424612 0.75 HTR2A (0.48) HTR2ATRPM8MPOSLC6A4MAPT
SCHEMBL19911038 0.73 TNF (0.58) HTR2AMPOSLC6A4MAPTNPSR1
SCHEMBL21315697 0.73 TNF (0.58) HTR2AMPOSLC6A4MAPTNPSR1
SCHEMBL7822537 0.71 HTR2A (0.58) HTR2ATRPM8MPOSLC6A4MAPT
SCHEMBL20258550 0.71 HTR2A (0.58) HTR2ATRPM8MPOSLC6A4MAPT
SCHEMBL30724496 0.70 HTR2A (1.00) HTR2ATRPM8MPOSLC6A4MAPT
SCHEMBL626030 0.70 HTR2A (1.00) HTR2ATRPM8MPOSLC6A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731623-A1 CARBOLINE COMPOUNDS AND USE THEREOF PTC Therapeutics, Inc. (US) 2026-04-29 EP disclosed
WO-2025006078-A1 CARBOLINE COMPOUNDS AND USE THEREOF PTC THERAPEUTICS, INC. (US) 2025-01-02 WO disclosed