SCHEMBL9596652

SCHEMBL9596652

COc1ccc2[nH]cc(CCN(C)CCCCN3C(=O)CC4(CCCC4)CC3=O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 7/20 0.52
▸ HTR2A P28223 4/20 0.52
▸ HTR6 P50406 3/20 0.52
▸ HTR1D P28221 2/20 0.52
▸ HTR1B P28222 2/20 0.52
▸ HTR2C P28335 2/20 0.52
▸ HTR1E P28566 2/20 0.52
▸ HTR7 P34969 2/20 0.52
▸ HTR2B P41595 2/20 0.52
▸ HTR5A P47898 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ HTR3E A5X5Y0 1/20 0.52
▸ HTR3B O95264 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ HTR1F P30939 1/20 0.52
▸ HTR3A P46098 1/20 0.52
▸ MTNR1A P48039 1/20 0.52
▸ MTNR1B P49286 1/20 0.52

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
SCHEMBL9613775 0.85 HTR2A (0.56) HTR1AHTR2AHTR2BL3MBTL1CYP1A2
SCHEMBL9228149 0.81 HTR1A (0.50) HTR1AHTR2AHTR1BHTR2CHTR2B
SCHEMBL10554214 0.75 HTR1A (0.70) HTR1AHTR2AHTR6HTR7SLC6A4
SCHEMBL9513567 0.75 HTR1A (0.46) HTR1AHTR2AHTR6HTR2CHTR7
SCHEMBL9514753 0.74 HTR1A (0.45) HTR1AHTR2AHTR6HTR2CHTR7
SCHEMBL10554132 0.74 DRD2 (0.59) HTR1AHTR2AHTR6HTR2CHTR7
SCHEMBL6948769 0.74 HTR2A (0.67) HTR1AHTR2AHTR6HTR1DHTR1B
SCHEMBL23069163 0.73 HTR6 (0.76) HTR1AHTR2AHTR6HTR1DHTR1B
SCHEMBL32669419 0.73 HTR6 (0.76) HTR1AHTR2AHTR6HTR1DHTR1B
SCHEMBL10649533 0.72 HCN4 (0.62) HTR1AHTR2AHTR6HTR1DHTR1B

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-5250538-A Treating CNS disorders; antiserotinin agents NOVO NORDISK A/S (DK) 1993-10-05 — — US claimed
EP-0515462-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE. NOVO NORDISK AS (DK) 1992-12-02 — — EP disclosed
US-5126363-A Central nervous system disorders NOVO NORDISK A/S (DK) 1992-06-30 — — US disclosed
WO-1991012252-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-08-22 — — WO disclosed
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