SCHEMBL9778482

SCHEMBL9778482

O=c1[nH]c2ccccc2n1CCCN1CCN(c2n[nH]c3ccccc23)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 12/20 0.70
▸ HTR1A P08908 3/20 0.70
▸ DRD2 P14416 2/20 0.70
▸ HTR2A P28223 2/20 0.70
▸ HTR6 P50406 1/20 0.70
▸ LMNA P02545 2/20 0.62
▸ P2RX7 Q99572 4/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ MLNR O43193 1/20 0.58
▸ NR1I2 O75469 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CHRM2 P08172 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ ADORA3 P0DMS8 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CHRM1 P11229 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ ADRA2C P18825 1/20 0.58
▸ CHRM3 P20309 1/20 0.58

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
SCHEMBL9778474 0.89 HTR7 (0.60) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL9778478 0.86 HTR7 (0.63) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL8135691 0.79 HTR7 (1.00) HTR7HTR1ADRD2HTR2ALMNA
SCHEMBL6843577 0.79 HTR7 (0.69) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL8134762 0.78 HTR7 (0.72) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL11119055 0.78 LMNA (0.97) HTR7HTR1ADRD2HTR2ALMNA
SCHEMBL8120775 0.78 HTR7 (0.69) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL11200811 0.77 HTR7 (0.75) HTR7HTR1ADRD2HTR2ALMNA
SCHEMBL29876367 0.77 HTR7 (0.73) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL27031059 0.77 HTR7 (0.84) HTR7HTR1ADRD2HTR2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4954503-A ANALGESIC, ANTIPSYCHOTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1990-09-04 — — US claimed
US-5077405-A Condensation of corresponding phenylsulfonyl compound with condensation agent, cyanation, reduction HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-12-31 — — US disclosed
EP-0417653-A1 3-(1-Substituted-4-piperazinyl)-1H-indazoles, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-03-20 — — EP disclosed
US-4954503-A ANALGESIC, ANTIPSYCHOTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1990-09-04 — — US disclosed
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