Sugi Predict

Sugi Predict / Compounds / Butylamine

Butylamine

Butylamine

SCHEMBL28138253

CCCCN.c1ccc(C(NC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 11/20 0.50
▸ KCNN4 O15554 2/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.41
▸ KCNH2 Q12809 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
Propylamine SCHEMBL28140425 0.90 KIF11 (0.55) KIF11KCNN4TAAR1
Ethylamine SCHEMBL28256368 0.86 KCNN4 (0.58) KIF11KCNN4TAAR1
Methylamine SCHEMBL28272974 0.79 KCNN4 (0.59) KIF11KCNN4TAAR1
SCHEMBL28100569 0.78 KCNN4 (0.46) KIF11KCNN4
SCHEMBL27744769 0.76 KIF11 (0.50) KIF11TAAR1
SCHEMBL2363005 0.76 KCNN4 (0.60) KIF11KCNN4TAAR1
Iodobenzene SCHEMBL28279106 0.75 MAOA (0.41) KIF11
Biphenyl SCHEMBL9641413 0.74 TAAR1 (0.46) TAAR1
Butylamine SCHEMBL9107548 0.74 KIF11 (0.53) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Ammonia Solution, Strong SCHEMBL28866362 0.73 KCNN4 (0.57) KIF11KCNN4TAAR1CYP3A4

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
CN-106486671-A Negative electrode active material particles and method for producing negative electrode active material particles 丰田自动车株式会社 2017-03-08 — — CN disclosed