SCHEMBL9281167

SCHEMBL9281167

CC(c1c[nH]c2ccccc12)C1CCCCN1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.49
FFAR1 O14842 2/20 0.49
SLC6A3 Q01959 5/20 0.47
SLC6A2 P23975 4/20 0.47
SLC6A4 P31645 4/20 0.47
HTR2C P28335 2/20 0.46
HTR2A P28223 1/20 0.46
HTR2B P41595 1/20 0.46
ALDH1A1 P00352 2/20 0.45
GLA P06280 1/20 0.45
MAPK1 P28482 1/20 0.45
HTR6 P50406 4/20 0.44
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRB2 P07550 1/20 0.39

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
SCHEMBL772622 0.96 GPR84 (0.50) GPR84FFAR1SLC6A3SLC6A2SLC6A4
SCHEMBL4383256 0.96 GPR84 (0.50) GPR84FFAR1SLC6A3SLC6A2SLC6A4
SCHEMBL5172958 0.96 GPR84 (0.50) GPR84FFAR1SLC6A3SLC6A2SLC6A4
SCHEMBL8208352 0.78 HTR1D (0.40) SLC6A3SLC6A2SLC6A4HTR2AHTR6
SCHEMBL9287655 0.77 HTR1D (0.42) SLC6A3SLC6A2SLC6A4HTR2CHTR2A
SCHEMBL8507358 0.77 HTR1D (0.45) SLC6A3SLC6A2SLC6A4HTR2AHTR6
SCHEMBL1697454 0.77 SLC6A4 (0.43) GPR84SLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL8209129 0.77 SLC6A4 (0.43) GPR84SLC6A3SLC6A2SLC6A4HTR2C
SCHEMBL8209090 0.77 SLC6A4 (0.50) GPR84SLC6A3SLC6A2SLC6A4HTR2A
SCHEMBL774639 0.77 SLC6A4 (0.43) GPR84SLC6A3SLC6A2SLC6A4ALDH1A1

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-5545644-A SEROTONIN AGONISTS; HYPOTENSIVE AND ANXIOLYTIC AGENTS; ANALGESICS; ANTIDEPRESSANTS; EATING DISORDERS; DRUG ABUSE; HEADACHES; VASCULAR DISORDERS PFIZER INC. (US) 1996-08-13 US disclosed
EP-0592438-A1 INDOLE DERIVATIVES. PFIZER (US) 1994-04-20 EP disclosed