SCHEMBL4350020

SCHEMBL4350020

COc1cc(N2CCN(C3CCN(F)C(c4cccc5cccnc45)C3)CC2)c2ncccc2c1.O=C1CCN(c2ccc(F)c3cccnc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.68

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
SCHEMBL3559423 0.88 HTR1A (0.70) HTR1A
Hydrochloric Acid SCHEMBL4343506 0.87 HTR1A (0.69) HTR1A
Hydrochloric Acid SCHEMBL4337711 0.86 HTR1A (0.68) HTR1A
Hydrochloric Acid SCHEMBL4559862 0.86 HTR1A (0.68) HTR1A
SCHEMBL3556491 0.82 HTR1A (1.00) HTR1A
Hydrochloric Acid SCHEMBL4190862 0.81 HTR1A (0.98) HTR1A
Hydrochloric Acid SCHEMBL4337708 0.81 HTR1A (0.96) HTR1A
Hydrochloric Acid SCHEMBL3556285 0.81 HTR1A (0.96) HTR1A
Succinic Acid SCHEMBL4972290 0.77 HTR1A (0.85) HTR1A
SCHEMBL3569932 0.76 HTR1A (0.86) HTR1A

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
EP-2029577-A2 CRYSTALLINE FORMS OF 6-METHOXY-8-[4-(1-(5-FLUORO)-QUINOLIN-8-YL-PIPERIDIN-4-YL)-PIPERAZIN-1-YL]-QUINOLINE Wyeth (US) 2009-03-04 EP disclosed
WO-2007146116-A2 CRYSTALLINE FORMS OF 6-METHOXY-8-[4-(1-(5-FLUORO)-QUINOLIN-8-YL-PIPERIDIN-4-YL)-PIPERAZIN-1-YL]-QUINOLINE WYETH (US) 2007-12-21 WO disclosed