SCHEMBL10831701

SCHEMBL10831701

CN(C)CCc1c(-c2ccc3ccccc3c2)[nH]c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.70
HTR2C P28335 10/20 0.70
HTR6 P50406 4/20 0.57
HTR1A P08908 1/20 0.57
HTR1D P28221 1/20 0.57
SLC6A4 P31645 1/20 0.57
HTR7 P34969 1/20 0.57
HTR5A P47898 1/20 0.57
DRD2 P14416 8/20 0.54
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48

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
SCHEMBL10832733 0.92 HTR6 (0.68) HTR2AHTR2CHTR6HTR1AHTR1D
SCHEMBL10831691 0.89 HTR6 (0.58) HTR2AHTR2CHTR6HTR1AHTR1D
SCHEMBL10831609 0.88 HTR6 (0.57) HTR2AHTR2CHTR6HTR1AHTR1D
SCHEMBL10831665 0.87 HTR6 (0.79) HTR2AHTR2CHTR6HTR1AHTR1D
SCHEMBL7646413 0.83 HTR2A (1.00) HTR2AHTR2CHTR6HTR1AHTR1D
SCHEMBL14154501 0.81 TUBB4A (0.48) HTR2AHTR2CHTR5ADRD2MTNR1A
SCHEMBL10832669 0.80 HTR2A (0.64) HTR2AHTR2CHTR6HTR1AHTR1D
SCHEMBL10832244 0.78 HTR2A (0.61) HTR2AHTR2CHTR6HTR1AHTR1D
SCHEMBL10832508 0.77 MTNR1A (0.43) MTNR1AMTNR1B
SCHEMBL10831769 0.76 CNR1 (0.42) HTR2AHTR2CHTR6

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-4544663-A ASPERMATOGENESIS INDUCERS SANDOZ, INC. (US) 1985-10-01 US claimed
US-4582848-A 2-substituted-3-indolamines and use thereof as anti-diabetics SANDOZ, INC. (US) 1986-04-15 US disclosed
US-4544663-A ASPERMATOGENESIS INDUCERS SANDOZ, INC. (US) 1985-10-01 US disclosed