SCHEMBL8186102

SCHEMBL8186102

c1cc2ncc3c(n2n1)N(C1CCC1)CC3

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.38
DGAT1 O75907 2/20 0.36
HTR2A P28223 3/20 0.35
HTR2B P41595 3/20 0.35
AURKA O14965 1/20 0.34
TYK2 P29597 1/20 0.34
KDR P35968 3/20 0.33
ACVR1 Q04771 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 4/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
JAK2 O60674 1/20 0.32
RAD52 P43351 1/20 0.32
PDGFRB P09619 1/20 0.30
MGLL Q99685 1/20 0.30

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
SCHEMBL8189436 0.97 DGAT1 (0.39) HTR2CDGAT1HTR2AHTR2BAURKA
SCHEMBL8191394 0.96 DGAT1 (0.41) HTR2CDGAT1HTR2AHTR2BAURKA
SCHEMBL8176685 0.94 HTR2C (0.36) HTR2CDGAT1HTR2AHTR2BAURKA
SCHEMBL8176828 0.73 HTR2C (0.41) HTR2CHTR2AHTR2BACVR1KMT2A
SCHEMBL6627873 0.72 KDM4E (0.46) KDRKMT2A
SCHEMBL8187595 0.71 HTR2C (0.39) HTR2CDGAT1HTR2AHTR2BKDR
SCHEMBL8177651 0.71 HTR2C (0.42) HTR2CDGAT1HTR2AHTR2BKDR
SCHEMBL29711807 0.70 KDR (0.39) HTR2CDGAT1HTR2AHTR2BKDR
SCHEMBL8177215 0.70 HTR2C (0.41) HTR2CHTR2AHTR2BACVR1KMT2A
SCHEMBL8188129 0.70 KMT2A (0.50) HTR2CHTR2AHTR2BACVR1KMT2A

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-6057330-A USEFUL FOR THE PREVENTION AND TREATMENT OF A RESPIRATORY DISEASES REPRESENTED BY ASTHMA POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-05-02 US disclosed