SCHEMBL9030265

SCHEMBL9030265

C1=NC(c2cccc3ccccc23)CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
SLC6A4 P31645 6/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 3/20 0.38
MTNR1A P48039 2/20 0.37
MTNR1B P49286 1/20 0.37
DRD2 P14416 1/20 0.37
IDO1 P14902 1/20 0.36
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
MAPK1 P28482 3/20 0.35
PLA2G6 O60733 3/20 0.34
FAAH O00519 1/20 0.34
NPC1 O15118 1/20 0.34
GMNN O75496 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MTOR P42345 1/20 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
SCHEMBL4718842 0.76 KDM1A (0.49) KDM1ASLC6A4SLC6A2SLC6A3MTNR1A
SCHEMBL290575 0.76 TAAR1 (0.42) KDM1AALDH1A1LMNA
SCHEMBL4723223 0.75 KDM1A (0.47) KDM1ASLC6A4SLC6A2SLC6A3MTNR1A
SCHEMBL4998332 0.73 HTR2C (0.50) IDO1ALDH1A1LMNA
SCHEMBL6653603 0.72 GAA (0.45) SLC6A4SLC6A2SLC6A3ALDH1A1HPGD
SCHEMBL1008916 0.70 KDM1A (0.46) KDM1ASLC6A4SLC6A2SLC6A3MTNR1A
SCHEMBL497994 0.69 SLC6A4 (0.56) KDM1ASLC6A4SLC6A2SLC6A3MTNR1A
SCHEMBL3968194 0.69 SLC6A4 (0.56) KDM1ASLC6A4SLC6A2SLC6A3MTNR1A
SCHEMBL25440356 0.68 KDM1A (0.47) KDM1ASLC6A4SLC6A2SLC6A3MTNR1A
SCHEMBL11776270 0.68 KDM1A (0.47) KDM1ASLC6A4SLC6A2SLC6A3MTNR1A

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-0735024-A1 Antidepressant N-(Heteroarylaminoalkyl)-4-napthyl substituted piperidines and tetrahydroperidines BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-02 EP disclosed
US-5472966-A Antiserotonin agents; side effect reduction BRISTOL-MYERS SQUIBB COMPANY (US) 1995-12-05 US disclosed