SCHEMBL11665347

SCHEMBL11665347

NCC(O)COc1cnccn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.41
HTR7 P34969 2/20 0.41
TSHR P16473 1/20 0.39
ALOX15 P16050 1/20 0.38
NR2E1 Q9Y466 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 1/20 0.36
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSP90AA1 P07900 1/20 0.33
LNPEP Q9UIQ6 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
SCHEMBL6491444 0.84 HTR1A (0.42) HTR1AHTR7TSHRSMN1; SMN2KMT2A
SCHEMBL6508045 0.84 HTR1A (0.42) HTR1AHTR7TSHRSMN1; SMN2KMT2A
SCHEMBL11142307 0.76 ADRB2 (0.51)
SCHEMBL11477551 0.75 ALOX15 (0.49) TSHRALOX15NR2E1SMN1; SMN2KMT2A
SCHEMBL15360076 0.73 LNPEP (0.33) HTR1AHTR7LNPEP
SCHEMBL2110330 0.73 KDM4E (0.38) HTR1AHTR7TSHRSMN1; SMN2KMT2A
SCHEMBL14300695 0.73 KDM4E (0.36) HTR1AHTR7KMT2AGRIN1GRIN2B
SCHEMBL6074662 0.72 CHRNB2 (0.46) TSHRALOX15NR2E1SMN1; SMN2KMT2A
SCHEMBL27580967 0.72 CHRNB2 (0.46) TSHRALOX15NR2E1SMN1; SMN2KMT2A
SCHEMBL11246142 0.72 ACHE (0.45) HTR1AHTR7SMN1; SMN2KDM4EALDH1A1

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-4115575-A CARDIOVASCULAR DISORDERS CIBA-GEIGY CORPORATION (US) 1978-09-19 US disclosed