SCHEMBL7802607

SCHEMBL7802607

CN1CCC(n2ccc3ccc(-n4cnnc4)cc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.47
HTR1B P28222 2/20 0.47
HTR1A P08908 1/20 0.47
HTR1F P30939 1/20 0.47
NOS3 P29474 4/20 0.42
NOS1 P29475 4/20 0.42
NOS2 P35228 2/20 0.41
DRD2 P14416 1/20 0.41
SLC6A4 P31645 1/20 0.41
SCD O00767 12/20 0.41
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36

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
Hydrochloric Acid SCHEMBL8033531 0.99 HTR1A (0.46) HTR1DHTR1BHTR1AHTR1FNOS3
SCHEMBL7808749 0.90 NOS3 (0.44) HTR1DHTR1BHTR1AHTR1FNOS3
Hydrochloric Acid SCHEMBL8033761 0.88 NOS3 (0.46) HTR1DHTR1BHTR1AHTR1FNOS3
SCHEMBL7808855 0.83 KDM4C (0.36) HTR1DHTR1BHTR1AHTR1FDRD2
Hydrochloric Acid SCHEMBL8031536 0.82 KDM4C (0.35) HTR1DHTR1BHTR1AHTR1FDRD2
SCHEMBL7798170 0.80 DRD2 (0.39) HTR1DHTR1BDRD2SLC6A4OPRM1
SCHEMBL7804156 0.80 DRD2 (0.48) HTR1DHTR1BDRD2SLC6A4
SCHEMBL7798189 0.80 KMT2A (0.52) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL8033624 0.79 DRD2 (0.47) HTR1DHTR1BDRD2SLC6A4
Hydrochloric Acid SCHEMBL8030850 0.79 DRD2 (0.38) DRD2SLC6A4OPRM1OPRD1OPRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6046205-A FOR TREATMENT OF VENOUS INSUFFICIENCY AND OF ASSOCIATED DISORDERS, AND ALSO IN THE TREATMENT OF MIGRAINE ADIR ET COMPAGNIE (FR) 2000-04-04 US claimed
EP-0902027-B1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR (FR) 2001-07-25 EP disclosed
EP-0902027-A1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-03-17 EP disclosed