SCHEMBL22609079

SCHEMBL22609079

CCCC[N+]1(C)CCC(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 1/20 0.49
▸ GNAO1 P09471 1/20 0.49
▸ GNAI1 P63096 1/20 0.49
▸ CHRM2 P08172 2/20 0.33
▸ CHRM4 P08173 2/20 0.33
▸ CHRM5 P08912 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ BBOX1 O75936 2/20 0.32
▸ SLC18A3 Q16572 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
Water SCHEMBL21084713 0.98 GNAI3 (0.47) GNAI3GNAO1GNAI1CHRM2CHRM4
SCHEMBL12633038 0.91 GNAI3 (0.59) GNAI3GNAO1GNAI1CHRM2CHRM4
Hydrochloric Acid SCHEMBL29252830 0.90 GNAI3 (0.62) GNAI3GNAO1GNAI1CHRM2CHRM4
SCHEMBL2739397 0.86 GNAI3 (0.39) GNAI3GNAO1GNAI1SLC18A3
Water SCHEMBL21084733 0.85 GNAI3 (0.41) GNAI3GNAO1GNAI1HPGDALOX15
SCHEMBL13567371 0.80 GNAI3 (0.44) GNAI3GNAO1GNAI1BBOX1
SCHEMBL30354412 0.76 — —
SCHEMBL7393278 0.76 RGS12 (0.30) —
SCHEMBL12533482 0.75 KDM4E (0.31) —
SCHEMBL21838305 0.75 — —

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
EP-3731964-A1 ALUMINOSILICATE ZEOLITE UZM-50 UOP LLC (US) 2020-11-04 — — EP disclosed
Send feedback