SCHEMBL10340396

SCHEMBL10340396

COc1ccc2[nH]ccc2c1CC[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.57
MTNR1B P49286 3/20 0.57
CNR1 P21554 1/20 0.41
EGFR P00533 1/20 0.41
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
NQO2 P16083 2/20 0.36
TUBB4A P04350 3/20 0.34
TUBB P07437 3/20 0.34
TUBA3C P0DPH7 3/20 0.34
TUBA1B P68363 3/20 0.34
TUBA4A P68366 3/20 0.34
TUBB4B P68371 3/20 0.34
TUBB3 Q13509 3/20 0.34
TUBB2A Q13885 3/20 0.34

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
SCHEMBL8705886 0.78 MTNR1A (0.60) MTNR1AMTNR1BMAPTNPSR1HTR3E
SCHEMBL4384056 0.76 MEN1 (0.47) MTNR1AMTNR1BMAPTNPSR1HTR3E
SCHEMBL3617254 0.75 MTNR1A (0.53) MTNR1AMTNR1BMAPTHTR3EHTR3B
SCHEMBL8984805 0.73 MTNR1A (1.00) MTNR1AMTNR1BNQO2MEN1KMT2A
SCHEMBL3621406 0.73 MTNR1A (0.81) MTNR1AMTNR1BHTR3EHTR3BHTR3A
SCHEMBL31470868 0.72 MTNR1A (0.53) MTNR1AMTNR1BHTR3EHTR3BHTR3A
SCHEMBL3621402 0.71 MTNR1A (0.56) MTNR1AMTNR1BHTR3EHTR3BHTR3A
SCHEMBL8984828 0.71 MTNR1A (0.77) MTNR1AMTNR1B
SCHEMBL11038251 0.69 VCP (0.48) MTNR1AMTNR1BEGFRMAPTNPSR1
SCHEMBL11038249 0.69 VCP (0.48) MTNR1AMTNR1BEGFRMAPTNPSR1

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
EP-0162695-B1 6-OXYGENATED-1,3,,4,5-TETRAHYDROBENZ(CD)INDOL-4-AMINES SMITHKLINE BEECHAM CORPORATION (US) 1990-01-17 EP disclosed
EP-0162695-A1 6-Oxygenated-1,3,,4,5-Tetrahydrobenz(cd)indol-4-amines SMITHKLINE BEECHAM CORPORATION (US) 1985-11-27 EP disclosed