SCHEMBL7960244

SCHEMBL7960244

CCOC(=O)CCCN1CCC(c2cccc3ccccc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.62
SLC6A4 P31645 1/20 0.62
TNF P01375 2/20 0.53
HRH3 Q9Y5N1 2/20 0.52
HTR4 Q13639 2/20 0.52
CNR1 P21554 2/20 0.49
PKM P14618 1/20 0.49
HTR6 P50406 1/20 0.47
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HRH1 P35367 1/20 0.45
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
NPY1R P25929 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL7961467 0.84 HTR4 (0.48) DRD2HTR4KDM4EALDH1A1MAPT
SCHEMBL7957657 0.82 DRD2 (0.49) DRD2HTR4CNR1KDM4EALDH1A1
SCHEMBL10595036 0.81 SLC18A3 (0.61) DRD2SLC6A4HTR4MEN1KMT2A
SCHEMBL8287642 0.80 DRD4 (0.67) HTR4
SCHEMBL8286387 0.80 HRH3 (0.55) TNFHRH3HTR4CNR1
SCHEMBL7959172 0.80 DRD2 (0.62) DRD2SLC6A4TNFHRH3HTR4
SCHEMBL7957074 0.80 DRD2 (0.58) DRD2SLC6A4HRH3HTR1DHTR1B
SCHEMBL7067307 0.78 DRD2 (0.60) DRD2SLC6A4HRH3HTR1DHTR1B
SCHEMBL7961389 0.78 NPY1R (0.50) DRD2HTR4KDM4EALDH1A1HSD17B10
SCHEMBL7957439 0.76 DRD2 (0.55) DRD2HTR4ALDH1A1MAPT

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
US-6187774-B1 N-PIPERAZINYLALKYLINDAZOLE DERIVATIVES; PSYCHOLOGICAL DISORDERS, SCHIZOPHRENIA; SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-02-13 US disclosed
EP-0885883-A1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-12-23 EP disclosed