SCHEMBL9866558

SCHEMBL9866558

Cc1cccc(N2N=C3c4ccc(OCCCN5CCOCC5)cc4CCC3CC2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.45
MAPK14 Q16539 4/20 0.43
AVPR1B P47901 1/20 0.41

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
Hydrochloric Acid SCHEMBL9865627 0.91 HRH3 (0.46) HRH3MAPK14
Hydrochloric Acid SCHEMBL9865621 0.91 HRH3 (0.46) HRH3MAPK14
SCHEMBL9865351 0.84 HTR1A (0.53) HRH3
Hydrochloric Acid SCHEMBL9866011 0.84 DRD2 (0.44) HRH3MAPK14
Hydrochloric Acid SCHEMBL9866019 0.84 DRD2 (0.44) HRH3MAPK14
Hydrochloric Acid SCHEMBL10445023 0.83 HTR1A (0.51) HRH3
Hydrochloric Acid SCHEMBL10445024 0.83 HTR1A (0.51) HRH3
SCHEMBL9868534 0.78 HRH3 (0.43) HRH3
Hydrochloric Acid SCHEMBL9602446 0.77 MAPK14 (0.46) HRH3MAPK14
Hydrochloric Acid SCHEMBL9602451 0.77 MAPK14 (0.46) HRH3MAPK14

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-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed