Sugi Predict

Sugi Predict / Compounds / SCHEMBL17277598

SCHEMBL17277598

SCHEMBL17277598

Cc1cc(CCN)cc(CCCCN)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.50
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ HTR2A P28223 3/20 0.45
▸ MAOA P21397 1/20 0.45
▸ HRH1 P35367 2/20 0.41
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39

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
SCHEMBL15787310 0.91 MAOA (0.48) TAAR1CYP1A2CYP2A6HTR2AMAOA
SCHEMBL17277597 0.89 MAOA (0.43) TAAR1CYP1A2CYP2A6HTR2AMAOA
SCHEMBL537203 0.89 TAAR1 (0.60) TAAR1CYP1A2CYP2A6HTR2AHTR2C
SCHEMBL12062435 0.88 MAOA (0.42) TAAR1CYP1A2CYP2A6HTR2AMAOA
SCHEMBL17277406 0.88 HTR2A (0.42) TAAR1HTR2AMAOAHRH1
SCHEMBL17277615 0.86 MAOA (0.41) TAAR1CYP1A2CYP2A6MAOAHRH1
SCHEMBL17277470 0.86 MAOA (0.41) TAAR1CYP1A2CYP2A6MAOAHRH1
SCHEMBL4213627 0.84 TAAR1 (0.45) TAAR1CYP1A2CYP2A6HTR2AMAOA
SCHEMBL3849051 0.84 TAAR1 (0.60) TAAR1CYP1A2CYP2A6HTR2AHTR2C
SCHEMBL7436821 0.83 MAOA (0.59) MAOAHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 — — US disclosed