SCHEMBL11585505

SCHEMBL11585505

CCCCCNC1C2CN3CN(C2)CN1C3

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FUCA1 P04066 9/20 0.35
▸ GBA1 P04062 6/20 0.34
▸ GNAI3 P08754 2/20 0.34
▸ GNAO1 P09471 2/20 0.34
▸ GNAI1 P63096 2/20 0.34
▸ MAN2B1 O00754 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 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
SCHEMBL1081023 0.66 GBA1 (0.42) FUCA1GBA1
Bromide SCHEMBL7049600 0.62 FUCA1 (0.38) FUCA1GBA1GNAI3GNAO1GNAI1
SCHEMBL530708 0.60 — —
SCHEMBL7593415 0.59 GNAI3 (0.55) FUCA1GBA1GNAI3GNAO1GNAI1
SCHEMBL11736631 0.59 GBA1 (0.57) FUCA1GBA1GNAI3GNAO1GNAI1
SCHEMBL24210534 0.58 GNAI3 (0.70) FUCA1GBA1GNAI3GNAO1GNAI1
SCHEMBL20746945 0.58 GNAI3 (0.70) FUCA1GBA1GNAI3GNAO1GNAI1
SCHEMBL9155873 0.58 GNAI3 (0.70) FUCA1GBA1GNAI3GNAO1GNAI1
SCHEMBL31020849 0.58 GNAI3 (0.70) FUCA1GBA1GNAI3GNAO1GNAI1
SCHEMBL17718458 0.58 GNAI3 (0.70) FUCA1GBA1GNAI3GNAO1GNAI1

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
US-4082723-A HEAT AND LIGHT STABILITY HOECHST AKTIENGESELLSCHAFT (DT) 1978-04-04 — — US disclosed
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