SCHEMBL7340843

SCHEMBL7340843

CCc1nnc2c(NC3CC3)nc3ccccc3n12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.70
ALDH1A1 P00352 1/20 0.65
KMT2A Q03164 1/20 0.63
TP53 P04637 1/20 0.62
MAPT P10636 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60

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
SCHEMBL7345445 0.95 ALDH1A1 (0.69) HTR2CALDH1A1KMT2ATP53
SCHEMBL7342907 0.95 ALDH1A1 (0.72) HTR2CALDH1A1KMT2ATP53
SCHEMBL7347004 0.94 KMT2A (0.73) HTR2CALDH1A1KMT2ATP53
SCHEMBL7345568 0.86 ALDH1A1 (0.69) HTR2CALDH1A1KMT2A
SCHEMBL7347595 0.84 ALDH1A1 (0.67) HTR2CALDH1A1KMT2A
SCHEMBL10844118 0.83 HTR2C (1.00) HTR2CTP53MAPTRXFP1
SCHEMBL10849241 0.82 HTR2C (0.78) HTR2CTP53MAPTRXFP1
SCHEMBL10846873 0.80 HTR2C (0.74) HTR2CTP53
SCHEMBL7342568 0.80 MAPT (0.77) HTR2CTP53MAPTRXFP1
SCHEMBL7349861 0.79 ALDH1A1 (1.00) ALDH1A1KMT2ATP53MAPTRXFP1

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-4780464-A CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1988-10-25 US disclosed