SCHEMBL8988899

SCHEMBL8988899

COC(=O)CCc1ccc(C2=C(OC)CN(c3ccc4c(c3)CCCC4N)C2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.38
OPRD1 P41143 4/20 0.34
HDAC1 Q13547 1/20 0.34
CTSD P07339 1/20 0.33
MCHR1 Q99705 2/20 0.33
PTPN1 P18031 1/20 0.33
KDM4C Q9H3R0 2/20 0.32

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
SCHEMBL8988701 0.95 HRH3 (0.38) HRH3HDAC1CTSDMCHR1PTPN1
Hydrochloric Acid SCHEMBL8988625 0.92 OPRD1 (0.36) HRH3OPRD1MCHR1
Hydrochloric Acid SCHEMBL8988652 0.86 HRH3 (0.33) HRH3
SCHEMBL7395923 0.82 HRH3 (0.41) HRH3OPRD1KDM4C
Hydrochloric Acid SCHEMBL7274423 0.82 HRH3 (0.40) HRH3OPRD1KDM4C
SCHEMBL8988799 0.81 HRH3 (0.40) HRH3HDAC1CTSDPTPN1
Hydrochloric Acid SCHEMBL8988618 0.80 HRH3 (0.39) HRH3HDAC1CTSDPTPN1
SCHEMBL8988630 0.78 PTPN1 (0.40) HRH3HDAC1CTSDPTPN1
SCHEMBL7384118 0.77 HRH3 (0.40) HRH3OPRD1HDAC1CTSD
Hydrochloric Acid SCHEMBL7281181 0.76 HRH3 (0.39) HRH3OPRD1HDAC1CTSD

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