SCHEMBL25946209

SCHEMBL25946209

NCCc1ccccc1OCC1CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.59
TAAR1 Q96RJ0 7/20 0.53
HTR2C P28335 5/20 0.50
HRH1 P35367 1/20 0.50
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
HTR2A P28223 2/20 0.40
HTR2B P41595 2/20 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
SCHEMBL8252603 0.86 RIPK1 (0.63) RIPK1HTR2CSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL30175221 0.84 RIPK1 (0.61) RIPK1HTR2CSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL22470881 0.84 RIPK1 (0.61) RIPK1HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL17583855 0.84 RIPK1 (0.47) RIPK1TAAR1HTR2CHRH1SLC6A2
Hydrochloric Acid SCHEMBL20187811 0.83 RIPK1 (0.46) RIPK1TAAR1HTR2CHRH1HTR2A
SCHEMBL20472419 0.79 RIPK1 (0.55) RIPK1HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL20472415 0.79 RIPK1 (0.55) RIPK1HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL29786424 0.79 RIPK1 (0.55) RIPK1HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL29786364 0.79 RIPK1 (0.55) RIPK1HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL29786590 0.79 RIPK1 (0.59) RIPK1HTR2CSLC6A2SLC6A4SLC6A3

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
EP-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed