SCHEMBL20545401

SCHEMBL20545401

CCCCCNC(CC)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
NAAA Q02083 3/20 0.47
SLC2A1 P11166 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
EPHX2 P34913 2/20 0.43
HDAC1 Q13547 1/20 0.42
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
GRM7 Q14831 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL13911223 0.86 SIGMAR1 (0.48) ALDH1A1POLBMAPTSIGMAR1EPHX2
SCHEMBL21799476 0.86 HTR2A (0.47) ALDH1A1POLBMAPTNAAASLC2A1
Methane SCHEMBL3957153 0.85 SIGMAR1 (0.47) ALDH1A1POLBMAPTSIGMAR1EPHX2
SCHEMBL21799802 0.84 HTR2A (0.50) ALDH1A1POLBMAPTNAAASLC2A1
SCHEMBL21799659 0.84 HTR2A (0.50) ALDH1A1POLBMAPTNAAASLC2A1
SCHEMBL21799652 0.84 HTR2A (0.50) ALDH1A1POLBMAPTNAAASLC2A1
SCHEMBL21799549 0.84 HTR2A (0.50) ALDH1A1POLBMAPTNAAASLC2A1
SCHEMBL21799711 0.84 HTR2A (0.50) ALDH1A1POLBMAPTNAAASLC2A1
SCHEMBL21799658 0.84 HTR2A (0.50) ALDH1A1POLBMAPTNAAASLC2A1
Hydrochloric Acid SCHEMBL11489607 0.84 SLC2A1 (0.60) ALDH1A1POLBMAPTNAAASLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11383084-B2 Treatment of dermatological conditions via neuromodulation PALO ALTO INVESTORS (US) 2022-07-12 US disclosed
US-20180311499-A1 Treatment of Dermatological Conditions via Neuromodulation PALO ALTO INVESTORS 2018-11-01 US disclosed
CN-104220421-A Sulfonamide derivatives of benzylamine for the treatment of central nervous system disorders ADAMED SP ZOO 2014-12-17 CN disclosed