SCHEMBL28485229

SCHEMBL28485229

CNCCCCC1CCNC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.53
▸ GNAI3 P08754 3/20 0.39
▸ GNAO1 P09471 3/20 0.39
▸ GNAI1 P63096 3/20 0.39
▸ SLC6A1 P30531 2/20 0.37
▸ GABRA5 P31644 2/20 0.37
▸ GABRB2 P47870 2/20 0.37
▸ SLC6A12 P48065 2/20 0.37
▸ SLC6A11 P48066 2/20 0.37
▸ SLC6A13 Q9NSD5 2/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRR1 P24046 1/20 0.37
▸ GABRA4 P48169 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ HRH3 Q9Y5N1 4/20 0.33
▸ EPHX1 P07099 1/20 0.32
▸ HRH4 Q9H3N8 3/20 0.31
▸ NAAA Q02083 1/20 0.31

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
SCHEMBL16312413 0.88 SIGMAR1 (0.62) SIGMAR1GNAI3GNAO1GNAI1MAPT
SCHEMBL7573756 0.86 — —
SCHEMBL4602409 0.86 — —
SCHEMBL7513919 0.86 — —
SCHEMBL1829059 0.82 SIGMAR1 (0.53) SIGMAR1GNAI3GNAO1GNAI1MAPT
SCHEMBL20854154 0.81 SLC6A1 (0.46) SIGMAR1GNAI3GNAO1GNAI1SLC6A1
SCHEMBL11799788 0.79 SLC6A1 (0.48) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL902177 0.78 GNAO1 (0.46) GNAI3GNAO1GNAI1SLC6A1GABRA5
SCHEMBL10060802 0.77 — —
SCHEMBL730120 0.77 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107735413-B Partially hydrogenated block copolymer, adhesive composition, adhesive tape, label, modified asphalt composition, modified asphalt mixture, and paving adhesive composition 旭化成株式会社 2020-11-06 — — CN disclosed
Send feedback