SCHEMBL10916232

SCHEMBL10916232

CC(C)(CCN)c1ccc(-c2ccc(C(C)(C)CCN)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.44
TAAR1 Q96RJ0 1/20 0.43
MAOB P27338 1/20 0.39
KIF11 P52732 6/20 0.37
SHBG P04278 1/20 0.35
CNR1 P21554 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
EP300 Q09472 1/20 0.33

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
SCHEMBL24272949 0.84 MAPT (0.50) CNR2TAAR1KIF11SHBGCNR1
SCHEMBL8354437 0.84 KIF11 (0.48) CNR2TAAR1KIF11SHBGCNR1
SCHEMBL29570669 0.82 KIF11 (0.47) TAAR1MAOBKIF11
SCHEMBL5147319 0.81 TAAR1 (0.67) TAAR1KIF11
SCHEMBL10961852 0.80 TAAR1 (0.65) CNR2TAAR1MAOBKIF11SHBG
Hydrochloric Acid SCHEMBL8615621 0.77 KIF11 (0.51) TAAR1MAOBKIF11NPC1MAPT
SCHEMBL475887 0.76 CNR2 (0.44) CNR2TAAR1KIF11CNR1
SCHEMBL2813687 0.74 LOXL2 (0.48) MAPTRAB9A
SCHEMBL23126312 0.74 TAAR1 (0.47) TAAR1MAOBKIF11
SCHEMBL24069662 0.73 ESRRG (0.37) CNR2TAAR1CNR1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4564705-A POLYAMIDE, POLYUREA AND POLYURETHANE MONOMERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-01-14 US disclosed
US-4451642-A Bis(aminoneopentyl) aromatics and polyamides derived therefrom E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-05-29 US disclosed