SCHEMBL8438797

SCHEMBL8438797

CCCN(c1ccccc1)C(CC)CC(C)CC

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.35
TP53 P04637 1/20 0.33
ESR1 P03372 1/20 0.32
TRPA1 O75762 1/20 0.30
TSHR P16473 2/20 0.30
KCNN4 O15554 1/20 0.30
KCNA5 P22460 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL20150135 0.86 TP53 (0.39) TAAR1TP53ESR1TSHRKCNN4
SCHEMBL3956329 0.77 TAAR1 (0.39) TAAR1TP53ESR1TSHRALDH1A1
SCHEMBL25684761 0.77 TAAR1 (0.39) TAAR1TP53ESR1TSHRALDH1A1
SCHEMBL20133786 0.77 NPC1 (0.38) TP53
SCHEMBL8959902 0.76 TAAR1 (0.49) TAAR1TP53ESR1TSHRKCNA5
SCHEMBL17045962 0.75 TAAR1 (0.38) TAAR1TP53ESR1TSHRKCNN4
SCHEMBL10473424 0.73 TAAR1 (0.39) TAAR1TP53ESR1TSHRKCNN4
SCHEMBL3954588 0.73 TAAR1 (0.39) TAAR1TP53ESR1TSHRKCNN4
SCHEMBL27814400 0.72 HTR2A (0.42) TAAR1TP53
SCHEMBL9352799 0.72 TAAR1 (0.38) TAAR1TP53ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5865857-A COLORFASTNESS; PHOTOSTABILITY ZENECA LIMITED (GB) 1999-02-02 US disclosed
EP-0667887-B1 DYES ZENECA LTD (GB) 1998-09-23 EP disclosed
US-5660598-A PRODUCE LIGHTFAST BLUE TO GREEN SHADES ON SYNTHETIC TEXTILES ZENECA LIMITED (GB) 1997-08-26 US disclosed
EP-0667887-A1 DYES ZENECA LIMITED (GB) 1995-08-23 EP disclosed
WO-1994010248-A1 DYES ZENECA LIMITED (GB) 1994-05-11 WO disclosed