SCHEMBL24879518

SCHEMBL24879518

CCC1c2cc(OC)ccc2CC12CCNCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.56
HTR2B P41595 3/20 0.56
SIGMAR1 Q99720 3/20 0.56
HTR1A P08908 2/20 0.56
OPRK1 P41145 2/20 0.56
ADRB2 P07550 1/20 0.56
ADRA2A P08913 1/20 0.56
ADRA2B P18089 1/20 0.56
SLC6A2 P23975 1/20 0.56
HRH1 P35367 1/20 0.56
OPRM1 P35372 1/20 0.56
HTR5A P47898 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HTR2A P28223 2/20 0.46
SLC22A1 O15245 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38

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
SCHEMBL23987135 0.83 HTR2C (0.46) HTR2CHTR2BSIGMAR1HTR1AOPRK1
SCHEMBL22303469 0.83 HTR2C (0.46) HTR2CHTR2BSIGMAR1HTR1AOPRK1
SCHEMBL27460012 0.78 HTR2C (0.38) HTR2CHTR2BSIGMAR1HTR1AOPRK1
SCHEMBL23508701 0.75 HTR2C (0.45) HTR2CHTR2BSIGMAR1HTR1AOPRK1
SCHEMBL25707304 0.75 HTR2C (0.45) HTR2CHTR2BSIGMAR1HTR1AOPRK1
SCHEMBL4484620 0.75 HTR2A (0.41) HTR2CHTR2BSIGMAR1HTR1AOPRK1
Hydrochloric Acid SCHEMBL25347445 0.74 HTR2C (0.44) HTR2CHTR2BSIGMAR1HTR1AOPRK1
Hydrochloric Acid SCHEMBL30486474 0.74 HTR2C (0.44) HTR2CHTR2BSIGMAR1HTR1AOPRK1
Hydrochloric Acid SCHEMBL30486634 0.74 HTR2C (0.44) HTR2CHTR2BSIGMAR1HTR1AOPRK1
SCHEMBL22303537 0.74 HTR2C (0.38) HTR2CHTR2BSIGMAR1HTR1AOPRK1

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-2023282702-A1 SHP2 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-01-12 WO disclosed