SCHEMBL7443607

SCHEMBL7443607

Clc1cccc(-c2cc(CC3CCCC3)cc3cccnc23)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.53
PDE4D Q08499 12/20 0.53
PDE4B Q07343 11/20 0.53
PDE4C Q08493 11/20 0.53
CYP2C9 P11712 1/20 0.40
ADORA1 P30542 1/20 0.39
CCR3 P51677 1/20 0.38
ITK Q08881 1/20 0.38

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
Hydrochloric Acid SCHEMBL7436727 0.99 PDE4A (0.53) PDE4APDE4DPDE4BPDE4CCYP2C9
SCHEMBL9129273 0.86 PDE4A (0.52) PDE4APDE4DPDE4BPDE4CCYP2C9
SCHEMBL7441262 0.86 CCR3 (0.44) PDE4APDE4DPDE4BPDE4CCYP2C9
SCHEMBL7437304 0.85 PDE4A (0.41) PDE4APDE4DPDE4BPDE4CCCR3
SCHEMBL7441455 0.81 PDE4A (0.66) PDE4APDE4DPDE4BPDE4C
SCHEMBL7450047 0.81 PDE4A (0.55) PDE4APDE4DPDE4BPDE4C
Hydrochloric Acid SCHEMBL7433162 0.81 PDE4A (0.65) PDE4APDE4DPDE4BPDE4C
SCHEMBL7442481 0.81 PDE4A (0.65) PDE4APDE4DPDE4BPDE4C
SCHEMBL7450702 0.80 PDE4A (0.60) PDE4APDE4DPDE4BPDE4C
SCHEMBL7436994 0.80 PDE4A (0.63) PDE4APDE4DPDE4BPDE4CADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691966-B1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX INC (US) 1998-09-09 EP disclosed
EP-0691966-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-01-17 EP disclosed
US-5455252-A Antiinflammatory agent, immunosuppressant, antiallergen, skin disorders, bronchodilator, analgesic SYNTEX (U.S.A.) INC. (US) 1995-10-03 US disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 WO disclosed