SCHEMBL3841671

SCHEMBL3841671

O=C(O)C1CCCN(CCN2CCOCC2)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 4/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SLC6A11 P48066 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL3865049 0.90 SLC6A1 (0.55) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL3841038 0.88 SLC6A1 (0.54) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL3839566 0.88 SLC6A1 (0.54) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL3842807 0.83 SLC6A1 (0.50) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL3842797 0.83 ALDH1A1 (0.55) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL28959996 0.82 BCHE (0.55) CYP1A2CYP2D6CYP2C9TSHRNFKB1
SCHEMBL3839600 0.81 CYP1A2 (0.55) CYP1A2SMN1; SMN2
SCHEMBL3840286 0.81 SLC6A1 (0.54) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL3840187 0.80 BCHE (0.61) SMN1; SMN2
SCHEMBL3838182 0.79 SLC6A1 (0.52) SLC6A1ALDH1A1LMNACYP1A2CYP2D6

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-1931341-B1 1H-INDOLE-PYRIDINECARBOXAMIDE AND 1H-INDOLE-PIPERIDINECARBOXAMIDE DERIVATIVES AND THEIR USE AS TYROSINE HYDROXYLASE INDUCERS SERVIER LAB (FR) 2009-11-04 EP disclosed