SCHEMBL8876449

SCHEMBL8876449

NCCCN1CCC(c2c[nH]c3cc(C(F)(F)F)ccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.60
▸ ADRA1D P25100 7/20 0.58
▸ DRD2 P14416 1/20 0.55
▸ KCNH2 Q12809 1/20 0.54
▸ ADRA1B P35368 1/20 0.51
▸ CCR2 P41597 1/20 0.49

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
SCHEMBL8877539 0.85 ADRA1D (0.79) SLC6A4ADRA1DDRD2KCNH2ADRA1B
SCHEMBL8876794 0.83 SLC6A4 (0.64) SLC6A4ADRA1DDRD2ADRA1B
SCHEMBL7256770 0.82 ADRA1D (0.77) SLC6A4ADRA1DDRD2KCNH2ADRA1B
SCHEMBL9057605 0.81 ADRA1D (0.56) SLC6A4ADRA1DKCNH2CCR2
SCHEMBL8879141 0.80 SLC6A4 (0.60) SLC6A4ADRA1DDRD2ADRA1BCCR2
SCHEMBL8877925 0.80 SLC6A4 (0.60) SLC6A4ADRA1DDRD2
SCHEMBL5705230 0.80 SLC6A4 (0.90) SLC6A4ADRA1D
SCHEMBL9057602 0.79 KCNH2 (0.49) SLC6A4ADRA1DDRD2KCNH2ADRA1B
SCHEMBL7884112 0.79 HTR1A (0.51) SLC6A4ADRA1DDRD2KCNH2CCR2
SCHEMBL8878693 0.78 SLC6A4 (0.78) SLC6A4ADRA1DDRD2KCNH2ADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670511-A Indolepiperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-09-23 — — US disclosed
CN-1133840-A Indolepiperidine derivatives MERCK PATENT GMBH (DE) 1996-10-23 — — CN disclosed
EP-0722942-A1 Indole piperidine derivatives MERCK PATENT GmbH (DE) 1996-07-24 — — EP disclosed
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