SCHEMBL8988516

SCHEMBL8988516

COC(=O)CCc1ccc(C2CCN(c3ccc(C(C)N)cc3)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
HTR2C P28335 8/20 0.38
FAAH O00519 2/20 0.36
ROCK2 O75116 1/20 0.36
CTSD P07339 1/20 0.36
HTR2B P41595 3/20 0.35
HTR2A P28223 3/20 0.35
PTGER2 P43116 1/20 0.35
FKBP1A P62942 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
GPR88 Q9GZN0 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL8988580 0.88 HRH3 (0.43) HRH3HTR2CROCK2CTSDHTR2B
SCHEMBL8988588 0.84 ITGB3 (0.49) HRH3HTR2C
SCHEMBL8988443 0.84 MMP1 (0.42) HRH3
Hydrochloric Acid SCHEMBL7275455 0.82 HRH3 (0.40) HRH3FAAHFKBP1AADRB2ADRB1
SCHEMBL31615163 0.78 HRH3 (0.47) HRH3FAAHCTSDADRB2ADRB1
SCHEMBL31615164 0.78 HRH3 (0.47) HRH3FAAHCTSDADRB2ADRB1
SCHEMBL31615138 0.76 HRH3 (0.47) HRH3FAAHROCK2ADRB2ADRB1
Hydrochloric Acid SCHEMBL8577042 0.75 HRH3 (0.35) HRH3ADRB2ADRB1GPR88EPHX2
SCHEMBL8910777 0.75 HRH3 (0.39) HRH3FAAHFKBP1AADRB2ADRB1
Hydrochloric Acid SCHEMBL8988698 0.73 ITGB3 (0.42) HRH3ROCK2EPHX2

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
US-5489693-A ANTICOAGULANTS DR. KARK THOMAE, GMBH (DE) 1996-02-06 US disclosed
EP-0567968-A1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof Dr. Karl Thomae GmbH (DE) 1993-11-03 EP disclosed