SCHEMBL7843573

SCHEMBL7843573

O=C(O)c1ccc(OCCCN2CCC(C(=O)c3nc4c(Cl)cccc4s3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.48
MAOB P27338 1/20 0.48
HRH1 P35367 9/20 0.46
HRH2 P25021 8/20 0.46
KDM1A O60341 1/20 0.46
LTA4H P09960 1/20 0.43

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
SCHEMBL7840842 0.90 HRH3 (0.47) HRH3MAOBHRH1HRH2KDM1A
SCHEMBL7836502 0.90 HRH3 (0.47) HRH3MAOBHRH1HRH2KDM1A
SCHEMBL7846152 0.86 LTA4H (0.55) HRH3MAOBHRH1HRH2KDM1A
SCHEMBL7828732 0.83 HRH3 (0.47) HRH3MAOBHRH1HRH2KDM1A
SCHEMBL7839234 0.83 LTA4H (0.54) HRH3HRH1KDM1ALTA4H
SCHEMBL7839426 0.82 HRH1 (0.43) HRH1HRH2LTA4H
SCHEMBL7839579 0.81 HRH3 (0.48) HRH3MAOBHRH1HRH2KDM1A
SCHEMBL7840871 0.80 HRH3 (0.48) HRH3MAOBHRH1HRH2KDM1A
SCHEMBL7839230 0.80 KCNH2 (0.49) HRH3MAOBHRH1HRH2
SCHEMBL7836221 0.79 TACR2 (0.52) HRH1LTA4H

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626968-B1 PIPERIDINYL THIACYCLIC DERIVATIVES MERRELL PHARMA INC (US) 2001-09-26 EP disclosed
US-5650416-A Piperidinyl thiacyclic derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-07-22 US disclosed
US-5631268-A ANTIALLERGENS, 5HT2 RECEPTOR ANTAGONISTS MERRELL PHARMACEUTICALS INC. (US) 1997-05-20 US disclosed
US-5596003-A Piperidinyl thiacyclic derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-01-21 US disclosed
US-5541200-A Piperidinyl thiacyclic derivatives MERRELL PHARMACEUTICALS INC. (US) 1996-07-30 US disclosed
US-5476861-A Piperidinyl thiacyclic derivatives MERRELL DOW PHARMACEURICALS INC. (US) 1995-12-19 US disclosed
US-5371093-A Piperidinyl thiacyclic derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1994-12-06 US disclosed
WO-1993016081-A1 PIPERIDINYL THIACYCLIC DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-08-19 WO disclosed