SCHEMBL11471775

SCHEMBL11471775

O=C1NCCN1C1CCN(CCc2c[nH]c3ccc(OCc4ccccc4)cc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 3/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ LTA4H P09960 3/20 0.52
▸ PLA2G2A P14555 3/20 0.52
▸ HTR1D P28221 7/20 0.51
▸ SLC6A4 P31645 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ HTR1B P28222 4/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ HSP90AB1 P08238 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HTR1A P08908 2/20 0.46
▸ HTR6 P50406 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ HTR2A P28223 1/20 0.46

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
SCHEMBL11463974 0.85 HTR2A (0.65) KDM4EHTR1BHTR1AHTR2A
SCHEMBL11616457 0.83 TRPM8 (0.50) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL32669329 0.82 TRPM8 (0.67) TRPM8KDM4EMAPTLTA4HPLA2G2A
Hydrochloric Acid SCHEMBL11463692 0.81 HTR7 (0.54) MAPTHTR1DSLC6A4HTR1BHTR1A
SCHEMBL11479098 0.80 HTR6 (0.49) TRPM8MAPTHTR1DSLC6A4HTR1B
SCHEMBL11558795 0.80 HTR1D (0.47) MAPTHTR1DHTR1BMEN1KMT2A
Hydrochloric Acid SCHEMBL11462601 0.80 HTR1A (0.56) TRPM8HTR1DSLC6A4HTR1BHTR1A
Hydrochloric Acid SCHEMBL11462927 0.80 HTR6 (0.49) TRPM8MAPTHTR1DSLC6A4HTR1B
SCHEMBL11738116 0.79 HTR6 (0.56) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL11554436 0.77 NQO2 (0.45) KDM4EHTR1DSLC6A4HTR1BHTR2A

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-4242347-A Hypotensive indolylalkylpiperidyl guanidines and isoureas CIBA-GEIGY CORPORATION (US) 1980-12-30 — — US disclosed
US-4147786-A HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1979-04-03 — — US disclosed
Send feedback