SCHEMBL10917409

SCHEMBL10917409

O=C(CI)NCC1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.53
TSHR P16473 1/20 0.53
EPHX1 P07099 2/20 0.47
EPHX2 P34913 1/20 0.47
KDM1A O60341 1/20 0.46
SMYD3 Q9H7B4 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
F2R P25116 1/20 0.40
ANPEP P15144 1/20 0.40
ERAP2 Q6P179 1/20 0.40
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
CHRM1 P11229 6/20 0.38
HTR4 Q13639 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL13194872 0.86
SCHEMBL6190098 0.81 ALOX15 (0.56) ALOX15TSHREPHX1EPHX2KDM1A
SCHEMBL4147752 0.81 ALOX15 (0.53) ALOX15TSHREPHX1EPHX2KDM1A
Hydrochloric Acid SCHEMBL28859585 0.79 ALOX15 (0.51) ALOX15TSHREPHX1EPHX2KDM1A
SCHEMBL6189244 0.78 ALOX15 (0.53) ALOX15TSHREPHX1EPHX2KDM1A
SCHEMBL477247 0.78 ALOX15 (0.58) ALOX15TSHREPHX1EPHX2KDM1A
SCHEMBL24584907 0.77 ALOX15 (0.55) ALOX15TSHREPHX1EPHX2KDM1A
SCHEMBL12413705 0.77 ALOX15 (0.51) ALOX15TSHREPHX1EPHX2KDM1A
Hydrochloric Acid SCHEMBL28212505 0.77 ALOX15 (0.49) ALOX15TSHREPHX1EPHX2KDM1A
SCHEMBL5773080 0.77 ALOX15 (0.51) ALOX15TSHREPHX1EPHX2KDM1A

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
EP-0061333-B1 9-(2-(3-INDOLYL)ETHYL)-1-OXA-4,9-DIAZASPIRO(5.5)UNDECAN-3-ONES SYNTEX (U.S.A.) INC. (US) 1986-01-02 EP disclosed