SCHEMBL9038101

SCHEMBL9038101

C1=NCCC(c2cccc3ccccc23)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.43
DRD2 P14416 1/20 0.43
MTNR1A P48039 2/20 0.43
KDM1A O60341 1/20 0.42
EGFR P00533 5/20 0.38
ERBB2 P04626 5/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 3/20 0.38
IDO1 P14902 1/20 0.36
MAPK1 P28482 1/20 0.35
MTNR1B P49286 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
SCHEMBL4673773 0.79 SLC6A4 (0.51) SLC6A4DRD2MTNR1AKDM1AEGFR
SCHEMBL30477104 0.76 SLC6A4 (0.59) SLC6A4DRD2MTNR1AKDM1ASLC6A2
SCHEMBL248440 0.76 SLC6A4 (0.59) SLC6A4DRD2MTNR1AKDM1ASLC6A2
SCHEMBL7648327 0.75 SLC6A4 (0.44) SLC6A4DRD2MTNR1AKDM1ASLC6A2
SCHEMBL7104295 0.73 ADRA1A (0.32)
SCHEMBL497994 0.72 SLC6A4 (0.56) SLC6A4DRD2MTNR1AKDM1ASLC6A2
SCHEMBL3968194 0.72 SLC6A4 (0.56) SLC6A4DRD2MTNR1AKDM1ASLC6A2
SCHEMBL4169706 0.71 SLC18A3 (0.42) DRD2
SCHEMBL168782 0.71 SLC6A4 (0.54) SLC6A4DRD2MTNR1AKDM1ASLC6A2
SCHEMBL22506964 0.71 HTR2C (0.35) DRD2SLC6A2SLC6A3

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